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

C14H18F3N3O2 — CID 175704536

IUPAC2-[(3S)-3-[6-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]piperidin-1-yl]propanamide
SMILESCC(C(N)=O)N1CCC[C@@H](c2c[nH]c(=O)cc2C(F)(F)F)C1
InChIInChI=1S/C14H18F3N3O2/c1-8(13(18)22)20-4-2-3-9(7-20)10-6-19-12(21)5-11(10)14(15,16)17/h5-6,8-9H,2-4,7H2,1H3,(H2,18,22)(H,19,21)/t8?,9-/m1/s1
InChIKeyJOTYVPLSPNMZPH-YGPZHTELSA-N
MW317.31 g/mol
LogP1.45
Rot. Bonds3

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

2-[(3S)-3-[6-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]piperidin-1-yl]propanamide (PubChem CID 175704536) has the molecular formula C14H18F3N3O2 and a molecular weight of 317.31 g/mol. Its IUPAC name is 2-[(3S)-3-[6-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]piperidin-1-yl]propanamide.

Molecular Properties

Compound Name2-[(3S)-3-[6-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]piperidin-1-yl]propanamide
PubChem CID175704536
Molecular FormulaC14H18F3N3O2
Molecular Weight317.31 g/mol
Exact Mass317.14
IUPAC Name2-[(3S)-3-[6-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]piperidin-1-yl]propanamide
SMILESCC(C(N)=O)N1CCC[C@@H](c2c[nH]c(=O)cc2C(F)(F)F)C1
InChIInChI=1S/C14H18F3N3O2/c1-8(13(18)22)20-4-2-3-9(7-20)10-6-19-12(21)5-11(10)14(15,16)17/h5-6,8-9H,2-4,7H2,1H3,(H2,18,22)(H,19,21)/t8?,9-/m1/s1
InChIKeyJOTYVPLSPNMZPH-YGPZHTELSA-N
XLogP1.45
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylpropyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide
CID 53506463
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
2-amino-5,5,5-trifluoro-N-[(2S)-1-[(3-methyl-4-oxo-2,8,9,9a-tetrahydro-1H-3-benzazepin-5-yl)amino]-1-oxopropan-2-yl]pentanamide
CID 20589517
(2S)-2-amino-5,5,5-trifluoro-N-[(2S)-1-[(3-methyl-4-oxo-2,8,9,9a-tetrahydro-1H-3-benzazepin-5-yl)amino]-1-oxopropan-2-yl]pentanamide
CID 70086543
(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
3,9-dimethyl-2-(piperidin-4-ylmethyl)-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2-benzazepine-8-carboxamide
CID 123843475
(5R)-N-[[1-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]piperidin-4-yl]methyl]-3,5-bis(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
CID 130216094
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
N-[[1-[2-(pentylamino)acetyl]piperidin-4-yl]methyl]-3,5-bis(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
CID 130216577
2-[5-[2-[Ethyl(methyl)amino]ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanamide
CID 156283122

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[6-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]piperidin-1-yl]propanamide?
The IUPAC name of 2-[(3S)-3-[6-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]piperidin-1-yl]propanamide (CID 175704536) is 2-[(3S)-3-[6-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]piperidin-1-yl]propanamide.
What is the SMILES notation for 2-[(3S)-3-[6-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]piperidin-1-yl]propanamide?
The canonical SMILES for 2-[(3S)-3-[6-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]piperidin-1-yl]propanamide is CC(C(N)=O)N1CCC[C@@H](c2c[nH]c(=O)cc2C(F)(F)F)C1.
What is the InChIKey of 2-[(3S)-3-[6-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]piperidin-1-yl]propanamide?
The InChIKey is JOTYVPLSPNMZPH-YGPZHTELSA-N. The full InChI is InChI=1S/C14H18F3N3O2/c1-8(13(18)22)20-4-2-3-9(7-20)10-6-19-12(21)5-11(10)14(15,16)17/h5-6,8-9H,2-4,7H2,1H3,(H2,18,22)(H,19,21)/t8?,9-/m1/s1.
What are the key properties of 2-[(3S)-3-[6-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]piperidin-1-yl]propanamide?
2-[(3S)-3-[6-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]piperidin-1-yl]propanamide has a molecular weight of 317.31 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[6-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]piperidin-1-yl]propanamide is sourced from PubChem (CID 175704536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).