3-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one

C14H17F3N2O2 — CID 95175145

IUPAC3-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESC[C@@H]1C[C@H](C)CN(C(=O)c2ccc(C(F)(F)F)[nH]c2=O)C1
InChIInChI=1S/C14H17F3N2O2/c1-8-5-9(2)7-19(6-8)13(21)10-3-4-11(14(15,16)17)18-12(10)20/h3-4,8-9H,5-7H2,1-2H3,(H,18,20)/t8-,9+
InChIKeyJOKRASXLBKKHHV-DTORHVGOSA-N
MW302.30 g/mol
LogP2.51
Rot. Bonds1

About 3-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one

3-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 95175145) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 3-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID95175145
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name3-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESC[C@@H]1C[C@H](C)CN(C(=O)c2ccc(C(F)(F)F)[nH]c2=O)C1
InChIInChI=1S/C14H17F3N2O2/c1-8-5-9(2)7-19(6-8)13(21)10-3-4-11(14(15,16)17)18-12(10)20/h3-4,8-9H,5-7H2,1-2H3,(H,18,20)/t8-,9+
InChIKeyJOKRASXLBKKHHV-DTORHVGOSA-N
XLogP2.51
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(2-methylpropoxy)piperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one
CID 51090765
3-({3-[(Dimethylamino)methyl]-3-hydroxy-1-piperidinyl}carbonyl)-6-(trifluoromethyl)-2-pyridinol
CID 56889511
N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methyl-6-oxopiperidine-3-carboxamide
CID 146323231
1-[3-(Dimethylamino)-3-methylbutyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 172376705
3-(4-methylpiperidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 24605953
N-(4-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 24608409
1-(2-Methylpropyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 25965638
N-(3-methylbutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 40114092
3-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 45842696
N-(3-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 47024414
N-ethyl-N-(2-ethylbutyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 53552804
N-(2-cyclohexylethyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 53560021

Frequently Asked Questions

What is the IUPAC name of 3-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one (CID 95175145) is 3-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one is C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(C(F)(F)F)[nH]c2=O)C1.
What is the InChIKey of 3-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is JOKRASXLBKKHHV-DTORHVGOSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-8-5-9(2)7-19(6-8)13(21)10-3-4-11(14(15,16)17)18-12(10)20/h3-4,8-9H,5-7H2,1-2H3,(H,18,20)/t8-,9+.
What are the key properties of 3-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one?
3-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 302.30 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 95175145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).