5-(4,4-difluoropiperidin-3-yl)-3-(methylsulfonylmethyl)-1H-pyridin-2-one

C12H16F2N2O3S — CID 164734624

IUPAC5-(4,4-difluoropiperidin-3-yl)-3-(methylsulfonylmethyl)-1H-pyridin-2-one
SMILESCS(=O)(=O)Cc1cc(C2CNCCC2(F)F)c[nH]c1=O
InChIInChI=1S/C12H16F2N2O3S/c1-20(18,19)7-9-4-8(5-16-11(9)17)10-6-15-3-2-12(10,13)14/h4-5,10,15H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyFCGQUQCVTANSTP-UHFFFAOYSA-N
MW306.33 g/mol
LogP0.63
Rot. Bonds3

About 5-(4,4-difluoropiperidin-3-yl)-3-(methylsulfonylmethyl)-1H-pyridin-2-one

5-(4,4-difluoropiperidin-3-yl)-3-(methylsulfonylmethyl)-1H-pyridin-2-one (PubChem CID 164734624) has the molecular formula C12H16F2N2O3S and a molecular weight of 306.33 g/mol. Its IUPAC name is 5-(4,4-difluoropiperidin-3-yl)-3-(methylsulfonylmethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(4,4-difluoropiperidin-3-yl)-3-(methylsulfonylmethyl)-1H-pyridin-2-one
PubChem CID164734624
Molecular FormulaC12H16F2N2O3S
Molecular Weight306.33 g/mol
Exact Mass306.08
IUPAC Name5-(4,4-difluoropiperidin-3-yl)-3-(methylsulfonylmethyl)-1H-pyridin-2-one
SMILESCS(=O)(=O)Cc1cc(C2CNCCC2(F)F)c[nH]c1=O
InChIInChI=1S/C12H16F2N2O3S/c1-20(18,19)7-9-4-8(5-16-11(9)17)10-6-15-3-2-12(10,13)14/h4-5,10,15H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyFCGQUQCVTANSTP-UHFFFAOYSA-N
XLogP0.63
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(4,4-difluoropiperidin-3-yl)-3-(methylsulfonylmethyl)-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4,4-difluoropiperidin-3-yl)-3-(methylsulfonylmethyl)-1H-pyridin-2-one?
The IUPAC name of 5-(4,4-difluoropiperidin-3-yl)-3-(methylsulfonylmethyl)-1H-pyridin-2-one (CID 164734624) is 5-(4,4-difluoropiperidin-3-yl)-3-(methylsulfonylmethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(4,4-difluoropiperidin-3-yl)-3-(methylsulfonylmethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(4,4-difluoropiperidin-3-yl)-3-(methylsulfonylmethyl)-1H-pyridin-2-one is CS(=O)(=O)Cc1cc(C2CNCCC2(F)F)c[nH]c1=O.
What is the InChIKey of 5-(4,4-difluoropiperidin-3-yl)-3-(methylsulfonylmethyl)-1H-pyridin-2-one?
The InChIKey is FCGQUQCVTANSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O3S/c1-20(18,19)7-9-4-8(5-16-11(9)17)10-6-15-3-2-12(10,13)14/h4-5,10,15H,2-3,6-7H2,1H3,(H,16,17).
What are the key properties of 5-(4,4-difluoropiperidin-3-yl)-3-(methylsulfonylmethyl)-1H-pyridin-2-one?
5-(4,4-difluoropiperidin-3-yl)-3-(methylsulfonylmethyl)-1H-pyridin-2-one has a molecular weight of 306.33 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-difluoropiperidin-3-yl)-3-(methylsulfonylmethyl)-1H-pyridin-2-one is sourced from PubChem (CID 164734624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).