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

C13H17ClF3N3O2 — CID 120615778

IUPAC(2S,4S)-2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CCN1.Cl
InChIInChI=1S/C13H16F3N3O2.ClH/c1-7-4-8(2-3-17-7)11(20)19-10-5-9(13(14,15)16)6-18-12(10)21;/h5-8,17H,2-4H2,1H3,(H,18,21)(H,19,20);1H/t7-,8-;/m0./s1
InChIKeyZLNAWIOYSHFNML-WSZWBAFRSA-N
MW339.75 g/mol
LogP2.14
Rot. Bonds2

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

(2S,4S)-2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide;hydrochloride (PubChem CID 120615778) has the molecular formula C13H17ClF3N3O2 and a molecular weight of 339.75 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide;hydrochloride
PubChem CID120615778
Molecular FormulaC13H17ClF3N3O2
Molecular Weight339.75 g/mol
Exact Mass339.10
IUPAC Name(2S,4S)-2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CCN1.Cl
InChIInChI=1S/C13H16F3N3O2.ClH/c1-7-4-8(2-3-17-7)11(20)19-10-5-9(13(14,15)16)6-18-12(10)21;/h5-8,17H,2-4H2,1H3,(H,18,21)(H,19,20);1H/t7-,8-;/m0./s1
InChIKeyZLNAWIOYSHFNML-WSZWBAFRSA-N
XLogP2.14
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.75
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S,4S)-2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide;hydrochloride 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'-(cyclopentylmethyl)-N'-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxamide
CID 53613259
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
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

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide;hydrochloride (CID 120615778) is (2S,4S)-2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide;hydrochloride is C[C@H]1C[C@@H](C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CCN1.Cl.
What is the InChIKey of (2S,4S)-2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is ZLNAWIOYSHFNML-WSZWBAFRSA-N. The full InChI is InChI=1S/C13H16F3N3O2.ClH/c1-7-4-8(2-3-17-7)11(20)19-10-5-9(13(14,15)16)6-18-12(10)21;/h5-8,17H,2-4H2,1H3,(H,18,21)(H,19,20);1H/t7-,8-;/m0./s1.
What are the key properties of (2S,4S)-2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide;hydrochloride?
(2S,4S)-2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 339.75 g/mol, XLogP of 2.14, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120615778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).