(3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C16H22F3N3O2 — CID 95137468

IUPAC(3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCc1cc(C)c(CNC(=O)[C@H]2CCCN(CC(F)(F)F)C2)c(=O)[nH]1
InChIInChI=1S/C16H22F3N3O2/c1-10-6-11(2)21-15(24)13(10)7-20-14(23)12-4-3-5-22(8-12)9-16(17,18)19/h6,12H,3-5,7-9H2,1-2H3,(H,20,23)(H,21,24)/t12-/m0/s1
InChIKeyYQARRGTYLVGLCP-LBPRGKRZSA-N
MW345.37 g/mol
LogP1.88
Rot. Bonds4

About (3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

(3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 95137468) has the molecular formula C16H22F3N3O2 and a molecular weight of 345.37 g/mol. Its IUPAC name is (3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID95137468
Molecular FormulaC16H22F3N3O2
Molecular Weight345.37 g/mol
Exact Mass345.17
IUPAC Name(3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCc1cc(C)c(CNC(=O)[C@H]2CCCN(CC(F)(F)F)C2)c(=O)[nH]1
InChIInChI=1S/C16H22F3N3O2/c1-10-6-11(2)21-15(24)13(10)7-20-14(23)12-4-3-5-22(8-12)9-16(17,18)19/h6,12H,3-5,7-9H2,1-2H3,(H,20,23)(H,21,24)/t12-/m0/s1
InChIKeyYQARRGTYLVGLCP-LBPRGKRZSA-N
XLogP1.88
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)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-3-carboxamide
CID 72046368
6-ethyl-2-oxo-N-(piperidin-3-ylmethyl)-1,2-dihydropyridine-4-carboxamide
CID 74244916
N-[1-[3-(6,7-difluoro-2-oxo-3,4,6,7-tetrahydroquinolin-1-yl)propyl]piperidin-4-yl]-2-methylpropanamide
CID 70254769
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[[(2R)-2,6-dimethylpiperidin-4-yl]-ethylamino]-6-methyl-3-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
CID 70913335
(3R)-N-cyclopropyl-N-[2-[6-[methyl(2,2,2-trifluoroethyl)amino]cyclohexa-2,4-dien-1-yl]prop-2-enyl]piperidine-3-carboxamide
CID 89131519
(3R,4S)-N-cyclopropyl-N-[[(2E,5Z,7Z)-4-methyl-9-methylidene-1-(2,2,2-trifluoroethyl)-4H-azonin-3-yl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 118282144
N-[4,6-bis(trifluoromethyl)hepta-2,4,6-trien-2-yl]-2-piperidin-4-ylacetamide
CID 123491001
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-[2-(ethylcarbamoyl)cyclohexa-1,5-dien-1-yl]-3,5-bis(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide
CID 134460181
N-ethyl-2-[[4-(trifluoromethyl)cyclohexa-2,4-diene-1-carbonyl]amino]cyclohexa-1,3-diene-1-carboxamide
CID 134460192
N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-6-oxopiperidine-3-carboxamide
CID 146323231

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 95137468) is (3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is Cc1cc(C)c(CNC(=O)[C@H]2CCCN(CC(F)(F)F)C2)c(=O)[nH]1.
What is the InChIKey of (3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is YQARRGTYLVGLCP-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22F3N3O2/c1-10-6-11(2)21-15(24)13(10)7-20-14(23)12-4-3-5-22(8-12)9-16(17,18)19/h6,12H,3-5,7-9H2,1-2H3,(H,20,23)(H,21,24)/t12-/m0/s1.
What are the key properties of (3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
(3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 95137468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).