2-[(3S)-4,4-difluoro-3-(1-methyl-6-oxo-3-pyridinyl)piperidin-1-yl]propanamide

C14H19F2N3O2 — CID 175704477

IUPAC2-[(3S)-4,4-difluoro-3-(1-methyl-6-oxo-3-pyridinyl)piperidin-1-yl]propanamide
SMILESCC(C(N)=O)N1CCC(F)(F)[C@@H](c2ccc(=O)n(C)c2)C1
InChIInChI=1S/C14H19F2N3O2/c1-9(13(17)21)19-6-5-14(15,16)11(8-19)10-3-4-12(20)18(2)7-10/h3-4,7,9,11H,5-6,8H2,1-2H3,(H2,17,21)/t9?,11-/m1/s1
InChIKeyPXMOGRSCIZANSI-HCCKASOXSA-N
MW299.32 g/mol
LogP0.68
Rot. Bonds3

About 2-[(3S)-4,4-difluoro-3-(1-methyl-6-oxo-3-pyridinyl)piperidin-1-yl]propanamide

2-[(3S)-4,4-difluoro-3-(1-methyl-6-oxo-3-pyridinyl)piperidin-1-yl]propanamide (PubChem CID 175704477) has the molecular formula C14H19F2N3O2 and a molecular weight of 299.32 g/mol. Its IUPAC name is 2-[(3S)-4,4-difluoro-3-(1-methyl-6-oxo-3-pyridinyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name2-[(3S)-4,4-difluoro-3-(1-methyl-6-oxo-3-pyridinyl)piperidin-1-yl]propanamide
PubChem CID175704477
Molecular FormulaC14H19F2N3O2
Molecular Weight299.32 g/mol
Exact Mass299.14
IUPAC Name2-[(3S)-4,4-difluoro-3-(1-methyl-6-oxo-3-pyridinyl)piperidin-1-yl]propanamide
SMILESCC(C(N)=O)N1CCC(F)(F)[C@@H](c2ccc(=O)n(C)c2)C1
InChIInChI=1S/C14H19F2N3O2/c1-9(13(17)21)19-6-5-14(15,16)11(8-19)10-3-4-12(20)18(2)7-10/h3-4,7,9,11H,5-6,8H2,1-2H3,(H2,17,21)/t9?,11-/m1/s1
InChIKeyPXMOGRSCIZANSI-HCCKASOXSA-N
XLogP0.68
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylpropyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide
CID 53506463
1-[2-(3-Methylpiperidin-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 16294278
1-acetyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide
CID 72050206
2-[(3S)-3-methylpiperidin-1-yl]-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 95328319
2-amino-4,4,4-trifluoro-N-[(2S)-1-[(3-methyl-4-oxo-2,8,9,9a-tetrahydro-1H-3-benzazepin-5-yl)amino]-1-oxopropan-2-yl]butanamide
CID 20589516
(2S)-2-amino-4,4,4-trifluoro-N-[(2S)-1-[(3-methyl-4-oxo-2,8,9,9a-tetrahydro-1H-3-benzazepin-5-yl)amino]-1-oxopropan-2-yl]butanamide
CID 70087750
5-(2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl)-1-methylpyridin-2(1H)-one
CID 86716047
N-[[1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]-3,5-bis(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
CID 130216442
4-ethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]hept-6-enamide
CID 138578414
2-[5-[2-[Ethyl(methyl)amino]ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanamide
CID 156283122
2-[5-[3-(Dimethylamino)propyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanamide
CID 156283140
2-[5-[3-[ethyl(methyl)amino]propyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-N,4-dimethylpentanamide
CID 156283169

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-4,4-difluoro-3-(1-methyl-6-oxo-3-pyridinyl)piperidin-1-yl]propanamide?
The IUPAC name of 2-[(3S)-4,4-difluoro-3-(1-methyl-6-oxo-3-pyridinyl)piperidin-1-yl]propanamide (CID 175704477) is 2-[(3S)-4,4-difluoro-3-(1-methyl-6-oxo-3-pyridinyl)piperidin-1-yl]propanamide.
What is the SMILES notation for 2-[(3S)-4,4-difluoro-3-(1-methyl-6-oxo-3-pyridinyl)piperidin-1-yl]propanamide?
The canonical SMILES for 2-[(3S)-4,4-difluoro-3-(1-methyl-6-oxo-3-pyridinyl)piperidin-1-yl]propanamide is CC(C(N)=O)N1CCC(F)(F)[C@@H](c2ccc(=O)n(C)c2)C1.
What is the InChIKey of 2-[(3S)-4,4-difluoro-3-(1-methyl-6-oxo-3-pyridinyl)piperidin-1-yl]propanamide?
The InChIKey is PXMOGRSCIZANSI-HCCKASOXSA-N. The full InChI is InChI=1S/C14H19F2N3O2/c1-9(13(17)21)19-6-5-14(15,16)11(8-19)10-3-4-12(20)18(2)7-10/h3-4,7,9,11H,5-6,8H2,1-2H3,(H2,17,21)/t9?,11-/m1/s1.
What are the key properties of 2-[(3S)-4,4-difluoro-3-(1-methyl-6-oxo-3-pyridinyl)piperidin-1-yl]propanamide?
2-[(3S)-4,4-difluoro-3-(1-methyl-6-oxo-3-pyridinyl)piperidin-1-yl]propanamide has a molecular weight of 299.32 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-4,4-difluoro-3-(1-methyl-6-oxo-3-pyridinyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 175704477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).