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

C14H19F2N3O2 — CID 175704335

IUPAC2-[(3S)-4,4-difluoro-3-methyl-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide
SMILESCC(C(N)=O)N1CCC(F)(F)[C@@](C)(c2ccc(=O)[nH]c2)C1
InChIInChI=1S/C14H19F2N3O2/c1-9(12(17)21)19-6-5-14(15,16)13(2,8-19)10-3-4-11(20)18-7-10/h3-4,7,9H,5-6,8H2,1-2H3,(H2,17,21)(H,18,20)/t9?,13-/m1/s1
InChIKeyODZDSFFOGQANNY-WCRCJTMVSA-N
MW299.32 g/mol
LogP0.85
Rot. Bonds3

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

2-[(3S)-4,4-difluoro-3-methyl-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide (PubChem CID 175704335) has the molecular formula C14H19F2N3O2 and a molecular weight of 299.32 g/mol. Its IUPAC name is 2-[(3S)-4,4-difluoro-3-methyl-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name2-[(3S)-4,4-difluoro-3-methyl-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide
PubChem CID175704335
Molecular FormulaC14H19F2N3O2
Molecular Weight299.32 g/mol
Exact Mass299.14
IUPAC Name2-[(3S)-4,4-difluoro-3-methyl-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide
SMILESCC(C(N)=O)N1CCC(F)(F)[C@@](C)(c2ccc(=O)[nH]c2)C1
InChIInChI=1S/C14H19F2N3O2/c1-9(12(17)21)19-6-5-14(15,16)13(2,8-19)10-3-4-11(20)18-7-10/h3-4,7,9H,5-6,8H2,1-2H3,(H2,17,21)(H,18,20)/t9?,13-/m1/s1
InChIKeyODZDSFFOGQANNY-WCRCJTMVSA-N
XLogP0.85
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,7-diazaspiro[4.5]dec-2-yl)-2-oxoethyl]-5-(trifluoromethyl)-2(1H)-pyridinone hydrochloride
CID 56749370
1-acetyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide
CID 72050206
N-[(2R)-1-[4-(4-fluorocyclohexa-1,3-dien-1-yl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-dihydropyridine-4-carboxamide
CID 58457866
5-(2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl)-1-methylpyridin-2(1H)-one
CID 86716047
2-[5-[3-[ethyl(methyl)amino]propyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-N,4-dimethylpentanamide
CID 156283169
2-[5-[3-(dimethylamino)propyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-N,4-dimethylpentanamide
CID 156284218
N,4-dimethyl-2-[5-[3-(methylamino)propyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]pentanamide
CID 156284243
5-(4,4-Difluoropiperidin-3-yl)-1-ethylpyridin-2-one
CID 163237844
5-(4,4-Difluoropiperidin-3-yl)-1-propan-2-ylpyridin-2-one
CID 163238151
5-(4,4-difluoro-3-methylpiperidin-3-yl)-1H-pyridin-2-one
CID 163238253
2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide
CID 164734556
5-(4,4-Difluoropiperidin-3-yl)-1-propan-2-ylpyridin-2-one;hydrochloride
CID 164734612

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-4,4-difluoro-3-methyl-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide?
The IUPAC name of 2-[(3S)-4,4-difluoro-3-methyl-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide (CID 175704335) is 2-[(3S)-4,4-difluoro-3-methyl-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for 2-[(3S)-4,4-difluoro-3-methyl-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide?
The canonical SMILES for 2-[(3S)-4,4-difluoro-3-methyl-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide is CC(C(N)=O)N1CCC(F)(F)[C@@](C)(c2ccc(=O)[nH]c2)C1.
What is the InChIKey of 2-[(3S)-4,4-difluoro-3-methyl-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide?
The InChIKey is ODZDSFFOGQANNY-WCRCJTMVSA-N. The full InChI is InChI=1S/C14H19F2N3O2/c1-9(12(17)21)19-6-5-14(15,16)13(2,8-19)10-3-4-11(20)18-7-10/h3-4,7,9H,5-6,8H2,1-2H3,(H2,17,21)(H,18,20)/t9?,13-/m1/s1.
What are the key properties of 2-[(3S)-4,4-difluoro-3-methyl-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide?
2-[(3S)-4,4-difluoro-3-methyl-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide has a molecular weight of 299.32 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-4,4-difluoro-3-methyl-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 175704335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).