Structure & Deep Data of Piketoprofen (C22H20N2O2)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Piketoprofen molecule contains a total of 48 bond(s). There are 28 non-H bond(s), 20 multiple bond(s), 5 rotatable bond(s), 2 double bond(s), 18 aromatic bond(s), 3 six-membered ring(s), 1 secondary amide(s) (aliphatic), 1 ketone(s) (aromatic), and 1 Pyridine(s). Images of the chemical structure of Piketoprofen are given below:

The 2D chemical structure image of Piketoprofen is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Piketoprofen 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 Piketoprofen 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 Piketoprofen. Download structure data file (SDF/MOL) file of this compound.

---

Search Another Chemical Structure

Enter another compound to search for chemical structure:

Deep Data Application Examples

Our Deep Data encompasses property data, spectral data, quantum chemical data, and molecular descriptor data for a wide range of chemical compounds. It features more than 2,100 high-quality datasets per single chemical compound, totaling over 8 billion datasets for 4.1+ million chemical compounds. Below are some application examples that may interest you:

Additional Information for Identifying Piketoprofen Molecule

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

  The SMILES string of Piketoprofen is CC(C(=O)Nc1cc(C)ccn1)c2cccc(c2)C(=O)c3ccccc3, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Piketoprofen.

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

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

• Chemical formula of Piketoprofen

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

• Molecular weight of Piketoprofen

  The molecular weight of Piketoprofen is available in molecular weight page of Piketoprofen, 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 Piketoprofen

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

  • Z1537384907
  • SR-01000945152-2
  • SR-01000945152-1
  • D08374
  • AR-1C7194
  • Piketoprofen (INN)
  • Calmatel (TN)
  • Calmatel
  • Piketoprofeno [INN-Spanish]
  • Piketoprofenum [INN-Latin]

  • Piketoprofene [INN-French]
  • Piketoprofene
  • 2-(3-benzoylphenyl)-n-(4-methyl-2-pyridyl)propionamide
  • 60576-13-8
  • Piketoprofen
  • Piketoprofenum
  • Piketoprofeno

---

Piketoprofen Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Piketoprofen?
C22H20N2O2
How many atoms and what are the elements included the Piketoprofen molecule?
46 atom(s) - 20 Hydrogen atom(s), 22 Carbon atom(s), 2 Nitrogen atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Piketoprofen structure?
48 bond(s) - 28 non-H bond(s), 20 multiple bond(s), 5 rotatable bond(s), 2 double bond(s), 18 aromatic bond(s), 3 six-membered ring(s), 1 secondary amide(s) (aliphatic), 1 ketone(s) (aromatic), and 1 Pyridine(s)
What’s the Piketoprofen’s molecular weight?
344.4064 g/mol
What’s the SMILES code of Piketoprofen?
CC(C(=O)Nc1cc(C)ccn1)c2cccc(c2)C(=O)c3ccccc3
What’s the InChI string of Piketoprofen?
InChI=1S/C22H20N2O2/c1-15-11-12-23-20(13-15)24-22(26)16(2)18-9-6-10-19(14-18)21(25)17-7-4-3-5-8-17/h3-14,16H,1-2H3,(H,23,24,26)
What’s the InChIKey code of Piketoprofen?
ASFKKFRSMGBFRO-UHFFFAOYSA-N

230 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).