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SDF/Mol File of 1-(4-fluorophenyl)-4-[(2S)-2-[(4-methylpiperidin-1-yl)carbonyl]pyrrolidin-1-yl]butane-1,4-dione (C21H27FN2O3)

Identification of 1-(4-fluorophenyl)-4-[(2S)-2-[(4-methylpiperidin-1-yl)carbonyl]pyrrolidin-1-yl]butane-1,4-dione Chemical Compound

2D chemical structure image of 1-(4-fluorophenyl)-4-[(2S)-2-[(4-methylpiperidin-1-yl)carbonyl]pyrrolidin-1-yl]butane-1,4-dione
Chemical Formula C21H27FN2O3
Molecular Weight 374.449083 g/mol
IUPAC Name 1-(4-fluorophenyl)-4-[(2S)-2-[(4-methylpiperidin-1-yl)carbonyl]pyrrolidin-1-yl]butane-1,4-dione
SMILES String CC1CCN(CC1)C(=O)C2CCCN2C(=O)CCC(=O)c3ccc(F)cc3
InChI InChI=1S/C21H27FN2O3/c1-15-10-13-23(14-11-15)21(27)18-3-2-12-24(18)20(26)9-8-19(25)16-4-6-17(22)7-5-16/h4-7,15,18H,2-3,8-14H2,1H3/t18-/m0/s1
InChIKey ADZBAGODISPFHE-SFHVURJKSA-N

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of 1-(4-fluorophenyl)-4-[(2S)-2-[(4-methylpiperidin-1-yl)carbonyl]pyrrolidin-1-yl]butane-1,4-dione is available for download. Click the link below to start downloading.

Download structure data file (SDF/MOL File)

The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of 1-(4-fluorophenyl)-4-[(2S)-2-[(4-methylpiperidin-1-yl)carbonyl]pyrrolidin-1-yl]butane-1,4-dione molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.

The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.

3D chemical structure image of 1-(4-fluorophenyl)-4-[(2S)-2-[(4-methylpiperidin-1-yl)carbonyl]pyrrolidin-1-yl]butane-1,4-dione
Ball-and-stick model of 1-(4-fluorophenyl)-4-[(2S)-2-[(4-methylpiperidin-1-yl)carbonyl]pyrrolidin-1-yl]butane-1,4-dione

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Additional Information for Identifying 1-(4-fluorophenyl)-4-[(2S)-2-[(4-methylpiperidin-1-yl)carbonyl]pyrrolidin-1-yl]butane-1,4-dione Molecule

  • Other names (synonyms) or registry numbers of 1-(4-fluorophenyl)-4-[(2S)-2-[(4-methylpiperidin-1-yl)carbonyl]pyrrolidin-1-yl]butane-1,4-dione

    The 1-(4-fluorophenyl)-4-[(2S)-2-[(4-methylpiperidin-1-yl)carbonyl]pyrrolidin-1-yl]butane-1,4-dione compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 1-(4-fluorophenyl)-4-[(2S)-2-[(4-methylpiperidin-1-yl)carbonyl]pyrrolidin-1-yl]butane-1,4-dione including the registry numbers are listed below, if available:



    None available.


1-(4-fluorophenyl)-4-[(2S)-2-[(4-methylpiperidin-1-yl)carbonyl]pyrrolidin-1-yl]butane-1,4-dione Identification Summary Frequently Asked Questions (FAQs)

What’s the 1-(4-fluorophenyl)-4-[(2S)-2-[(4-methylpiperidin-1-yl)carbonyl]pyrrolidin-1-yl]butane-1,4-dione formula?
C21H27FN2O3
How many atoms and what elements are included in the 1-(4-fluorophenyl)-4-[(2S)-2-[(4-methylpiperidin-1-yl)carbonyl]pyrrolidin-1-yl]butane-1,4-dione molecule?
54 atom(s) - 27 Hydrogen atom(s), 21 Carbon atom(s), 2 Nitrogen atom(s), 3 Oxygen atom(s), and 1 Fluorine atom(s)
How many chemical bonds and what kind of bonds are in the 1-(4-fluorophenyl)-4-[(2S)-2-[(4-methylpiperidin-1-yl)carbonyl]pyrrolidin-1-yl]butane-1,4-dione structure?
56 bond(s) - 29 non-H bond(s), 9 multiple bond(s), 5 rotatable bond(s), 3 double bond(s), 6 aromatic bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 2 tertiary amide(s) (aliphatic), 1 ketone(s) (aromatic), and 1 Pyrrolidine(s)
What’s the 1-(4-fluorophenyl)-4-[(2S)-2-[(4-methylpiperidin-1-yl)carbonyl]pyrrolidin-1-yl]butane-1,4-dione’s molar mass?
374.449083 g/mol
What’s the SMILES structure of 1-(4-fluorophenyl)-4-[(2S)-2-[(4-methylpiperidin-1-yl)carbonyl]pyrrolidin-1-yl]butane-1,4-dione?
CC1CCN(CC1)C(=O)C2CCCN2C(=O)CCC(=O)c3ccc(F)cc3
What’s the InChI code of 1-(4-fluorophenyl)-4-[(2S)-2-[(4-methylpiperidin-1-yl)carbonyl]pyrrolidin-1-yl]butane-1,4-dione?
InChI=1S/C21H27FN2O3/c1-15-10-13-23(14-11-15)21(27)18-3-2-12-24(18)20(26)9-8-19(25)16-4-6-17(22)7-5-16/h4-7,15,18H,2-3,8-14H2,1H3/t18-/m0/s1
What’s the InChIKey format of 1-(4-fluorophenyl)-4-[(2S)-2-[(4-methylpiperidin-1-yl)carbonyl]pyrrolidin-1-yl]butane-1,4-dione?
ADZBAGODISPFHE-SFHVURJKSA-N

32 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).

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