(4S)-1-methyl-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide

C13H14F3N3O3 — CID 94066293

IUPAC(4S)-1-methyl-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide
SMILESCN1CC[C@H](C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CC1=O
InChIInChI=1S/C13H14F3N3O3/c1-19-3-2-7(4-10(19)20)11(21)18-9-5-8(13(14,15)16)6-17-12(9)22/h5-7H,2-4H2,1H3,(H,17,22)(H,18,21)/t7-/m0/s1
InChIKeyDLFCSRMNXPHQKP-ZETCQYMHSA-N
MW317.27 g/mol
LogP1.20
Rot. Bonds2

About (4S)-1-methyl-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide

(4S)-1-methyl-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide (PubChem CID 94066293) has the molecular formula C13H14F3N3O3 and a molecular weight of 317.27 g/mol. Its IUPAC name is (4S)-1-methyl-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-1-methyl-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide
PubChem CID94066293
Molecular FormulaC13H14F3N3O3
Molecular Weight317.27 g/mol
Exact Mass317.10
IUPAC Name(4S)-1-methyl-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide
SMILESCN1CC[C@H](C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CC1=O
InChIInChI=1S/C13H14F3N3O3/c1-19-3-2-7(4-10(19)20)11(21)18-9-5-8(13(14,15)16)6-17-12(9)22/h5-7H,2-4H2,1H3,(H,17,22)(H,18,21)/t7-/m0/s1
InChIKeyDLFCSRMNXPHQKP-ZETCQYMHSA-N
XLogP1.20
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 51.20
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
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
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
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
4-ethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]hept-6-enamide
CID 138578414
N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 146323232

Frequently Asked Questions

What is the IUPAC name of (4S)-1-methyl-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide?
The IUPAC name of (4S)-1-methyl-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide (CID 94066293) is (4S)-1-methyl-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for (4S)-1-methyl-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for (4S)-1-methyl-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide is CN1CC[C@H](C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CC1=O.
What is the InChIKey of (4S)-1-methyl-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide?
The InChIKey is DLFCSRMNXPHQKP-ZETCQYMHSA-N. The full InChI is InChI=1S/C13H14F3N3O3/c1-19-3-2-7(4-10(19)20)11(21)18-9-5-8(13(14,15)16)6-17-12(9)22/h5-7H,2-4H2,1H3,(H,17,22)(H,18,21)/t7-/m0/s1.
What are the key properties of (4S)-1-methyl-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide?
(4S)-1-methyl-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide has a molecular weight of 317.27 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-methyl-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 94066293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).