Structure & Deep Data of Fluspiperone (C23H25F2N3O2)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Fluspiperone molecule contains a total of 58 bond(s). There are 33 non-H bond(s), 14 multiple bond(s), 6 rotatable bond(s), 2 double bond(s), 12 aromatic bond(s), 1 five-membered ring(s), 3 six-membered ring(s), 1 secondary amide(s) (aliphatic), 1 ketone(s) (aromatic), 1 tertiary amine(s) (aliphatic), and 1 tertiary amine(s) (aromatic). Images of the chemical structure of Fluspiperone are given below:

The 2D chemical structure image of Fluspiperone is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Fluspiperone are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of Fluspiperone is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of Fluspiperone. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Fluspiperone Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Fluspiperone

  The SMILES string of Fluspiperone is Fc1ccc(cc1)N2CNC(=O)C24CCN(CCCC(=O)c3ccc(F)cc3)CC4, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Fluspiperone.

• Structure Data File (SDF/MOL File) of Fluspiperone

  The structure data file (SDF/MOL File) of Fluspiperone is available for download in the SDF page of Fluspiperone, which provides the information about the atoms, bonds, connectivity and coordinates of Fluspiperone. The Fluspiperone structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of Fluspiperone

  The molecular formula of Fluspiperone is available in chemical formula page of Fluspiperone, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of Fluspiperone

  The molecular weight of Fluspiperone is available in molecular weight page of Fluspiperone, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of Fluspiperone

  The Fluspiperone compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Fluspiperone including the various registry numbers, if available:

  • {1,3,8-Triazaspiro[4.5]decan-4-one,} {1-(4-fluorophenyl)-8-[4-(4-fluorophenyl)-4-oxobutyl]-}
  • 8-[3-(p-Fluorobenzoyl)propyl]-1-(p-fluorophenyl)-1,8-triazaspiro[4.5]decan-4-one
  • 4-(4-fluorophenyl)-8-[4-(4-fluorophenyl)-4-oxobutyl]-2,4,8-triazaspiro[4.5]decan-1-one
  • 4-(4-fluorophenyl)-8-[4-(4-fluorophenyl)-4-oxo-butyl]-2,4,8-triazaspiro[4.5]decan-1-one
  • 1,8-Triazaspiro[4.5]decan-4-one, 1-(4-fluorophenyl)-8-[4-(4-fluorophenyl)-4-oxobutyl]-
  • {8-[3-(p-Fluorobenzoyl)propyl]-1-(p-fluorophenyl)-1,3,} {8-triazaspiro[4.5]decan-4-one}
  • R 28,930
  • L000948
  • D02661
  • CAS_54965-22-9

  • AR-1B2072
  • V0Q53N427T
  • KST-1B6688
  • BDBM85032
  • Fluspiperone (USAN/INN)
  • 1-(4-Fluorophenyl)-8-(4-(4-fluorophenyl)-4-oxobutyl)-1,3,8-triazaspiro[4.5]decan-4-one
  • Fluspiperone [USAN:INN]
  • R-28930
  • 54965-22-9
  • Fluspiperone

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Fluspiperone Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Fluspiperone?
C23H25F2N3O2
How many atoms and what are the elements included the Fluspiperone molecule?
55 atom(s) - 25 Hydrogen atom(s), 23 Carbon atom(s), 3 Nitrogen atom(s), 2 Oxygen atom(s), and 2 Fluorine atom(s)
How many chemical bonds and what kind of bonds are included the Fluspiperone structure?
58 bond(s) - 33 non-H bond(s), 14 multiple bond(s), 6 rotatable bond(s), 2 double bond(s), 12 aromatic bond(s), 1 five-membered ring(s), 3 six-membered ring(s), 1 secondary amide(s) (aliphatic), 1 ketone(s) (aromatic), 1 tertiary amine(s) (aliphatic), and 1 tertiary amine(s) (aromatic)
What’s the Fluspiperone’s molecular weight?
413.460306 g/mol
What’s the SMILES code of Fluspiperone?
Fc1ccc(cc1)N2CNC(=O)C24CCN(CCCC(=O)c3ccc(F)cc3)CC4
What’s the InChI string of Fluspiperone?
InChI=1S/C23H25F2N3O2/c24-18-5-3-17(4-6-18)21(29)2-1-13-27-14-11-23(12-15-27)22(30)26-16-28(23)20-9-7-19(25)8-10-20/h3-10H,1-2,11-16H2,(H,26,30)
What’s the InChIKey code of Fluspiperone?
RIOZXKPJYKSKJV-UHFFFAOYSA-N

29 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).