4-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-2-one

C12H13F3N2O2 — CID 103765929

IUPAC4-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1cc[nH]c(=O)c1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)9-2-5-17(6-3-9)11(19)8-1-4-16-10(18)7-8/h1,4,7,9H,2-3,5-6H2,(H,16,18)
InChIKeyDEHJNMBKCKZWTN-UHFFFAOYSA-N
MW274.24 g/mol
LogP1.79
Rot. Bonds1

About 4-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-2-one

4-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 103765929) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID103765929
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name4-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1cc[nH]c(=O)c1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)9-2-5-17(6-3-9)11(19)8-1-4-16-10(18)7-8/h1,4,7,9H,2-3,5-6H2,(H,16,18)
InChIKeyDEHJNMBKCKZWTN-UHFFFAOYSA-N
XLogP1.79
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[4-(trifluoromethyl)piperidine-1-carbonyl]-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

1-(piperidin-4-ylmethyl)pyridin-2(1H)-one
CID 44410571
1-(6-oxo-1,6-dihydropyridine-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 49676921
N-({1-[(2E)-2-methylpent-2-en-1-yl]piperidin-4-yl}methyl)-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 56710306
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide
CID 72046372
1-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyridin-2(1H)-one
CID 55171098
1-(Difluoromethyl)-4-piperidin-4-ylpyridin-2-one
CID 59627430
1-(Difluoromethyl)-5-piperidin-4-ylpyridin-2-one
CID 59627442
(3E,5Z)-6-amino-N-[[1-[2-(2,2-dimethylpropanoylamino)ethyl]piperidin-4-yl]methyl]-2-methylidene-4-(trifluoromethyl)hexa-3,5-dienamide
CID 89119692
4-Fluoro-1-(piperidin-4-ylmethyl)pyridin-2-one
CID 90038622
(2E,4E,6E)-2-methyl-7-(4-methylpiperidin-1-yl)-5-(trifluoromethyl)hepta-2,4,6-trienamide
CID 143291015
(3E)-2-methyl-4-methylidene-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]-N-(2,2,2-trifluoroethyl)cyclohexa-1,5-diene-1-carboxamide
CID 144747398
5-(trifluoromethyl)piperidin-2-one;5-(trifluoromethyl)-1H-pyridin-2-one
CID 161729260

Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 4-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 103765929) is 4-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-2-one is O=C(c1cc[nH]c(=O)c1)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 4-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is DEHJNMBKCKZWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c13-12(14,15)9-2-5-17(6-3-9)11(19)8-1-4-16-10(18)7-8/h1,4,7,9H,2-3,5-6H2,(H,16,18).
What are the key properties of 4-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
4-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 274.24 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 103765929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).