(3S)-1-acetyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-3-carboxamide

C14H16F3N3O3 — CID 94066273

IUPAC(3S)-1-acetyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-3-carboxamide
SMILESCC(=O)N1CCC[C@H](C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C1
InChIInChI=1S/C14H16F3N3O3/c1-8(21)20-4-2-3-9(7-20)12(22)19-11-5-10(14(15,16)17)6-18-13(11)23/h5-6,9H,2-4,7H2,1H3,(H,18,23)(H,19,22)/t9-/m0/s1
InChIKeyFAPWVYKTIPGCNS-VIFPVBQESA-N
MW331.29 g/mol
LogP1.59
Rot. Bonds2

About (3S)-1-acetyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-3-carboxamide

(3S)-1-acetyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-3-carboxamide (PubChem CID 94066273) has the molecular formula C14H16F3N3O3 and a molecular weight of 331.29 g/mol. Its IUPAC name is (3S)-1-acetyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-acetyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-3-carboxamide
PubChem CID94066273
Molecular FormulaC14H16F3N3O3
Molecular Weight331.29 g/mol
Exact Mass331.11
IUPAC Name(3S)-1-acetyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-3-carboxamide
SMILESCC(=O)N1CCC[C@H](C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C1
InChIInChI=1S/C14H16F3N3O3/c1-8(21)20-4-2-3-9(7-20)12(22)19-11-5-10(14(15,16)17)6-18-13(11)23/h5-6,9H,2-4,7H2,1H3,(H,18,23)(H,19,22)/t9-/m0/s1
InChIKeyFAPWVYKTIPGCNS-VIFPVBQESA-N
XLogP1.59
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-1-acetyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-3-carboxamide with MolForge

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Related Compounds

1-(2-methylpropyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide
CID 53506463
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-2-carboxamide
CID 72046367
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-3-carboxamide
CID 72046368
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide
CID 72046372
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-2-carboxamide;hydrochloride
CID 72046366
1-acetyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide
CID 72050206
(2S)-2-acetamido-3-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide
CID 94026741
2-[(3S)-3-methylpiperidin-1-yl]-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 95328319
(2S)-N-(2,2-difluoroethyl)-1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidine-2-carboxamide
CID 137994880
4,5-dimethyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohepta-1,3,5-triene-1-carboxamide
CID 123523693
N-[[1-[2-(pentylamino)acetyl]piperidin-4-yl]methyl]-3,5-bis(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
CID 130216577
2-[3-amino-2-oxo-5-(trifluoromethyl)pyridin-1-yl]-N-(2-ethylbutyl)acetamide
CID 135186733

Frequently Asked Questions

What is the IUPAC name of (3S)-1-acetyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-acetyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-3-carboxamide (CID 94066273) is (3S)-1-acetyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-acetyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-acetyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-3-carboxamide is CC(=O)N1CCC[C@H](C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C1.
What is the InChIKey of (3S)-1-acetyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-3-carboxamide?
The InChIKey is FAPWVYKTIPGCNS-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16F3N3O3/c1-8(21)20-4-2-3-9(7-20)12(22)19-11-5-10(14(15,16)17)6-18-13(11)23/h5-6,9H,2-4,7H2,1H3,(H,18,23)(H,19,22)/t9-/m0/s1.
What are the key properties of (3S)-1-acetyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-3-carboxamide?
(3S)-1-acetyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-3-carboxamide has a molecular weight of 331.29 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-acetyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 94066273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).