1-(piperidin-4-ylmethyl)-5-(2,2,2-trifluoroethyl)pyridin-2-one

C13H17F3N2O — CID 170075453

IUPAC1-(piperidin-4-ylmethyl)-5-(2,2,2-trifluoroethyl)pyridin-2-one
SMILESO=c1ccc(CC(F)(F)F)cn1CC1CCNCC1
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)7-11-1-2-12(19)18(9-11)8-10-3-5-17-6-4-10/h1-2,9-10,17H,3-8H2
InChIKeySBAFNHQEYBXTIT-UHFFFAOYSA-N
MW274.29 g/mol
LogP1.95
Rot. Bonds3

About 1-(piperidin-4-ylmethyl)-5-(2,2,2-trifluoroethyl)pyridin-2-one

1-(piperidin-4-ylmethyl)-5-(2,2,2-trifluoroethyl)pyridin-2-one (PubChem CID 170075453) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 1-(piperidin-4-ylmethyl)-5-(2,2,2-trifluoroethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(piperidin-4-ylmethyl)-5-(2,2,2-trifluoroethyl)pyridin-2-one
PubChem CID170075453
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name1-(piperidin-4-ylmethyl)-5-(2,2,2-trifluoroethyl)pyridin-2-one
SMILESO=c1ccc(CC(F)(F)F)cn1CC1CCNCC1
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)7-11-1-2-12(19)18(9-11)8-10-3-5-17-6-4-10/h1-2,9-10,17H,3-8H2
InChIKeySBAFNHQEYBXTIT-UHFFFAOYSA-N
XLogP1.95
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(piperidin-4-ylmethyl)-5-(2,2,2-trifluoroethyl)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-(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
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
5-(2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl)-1-methylpyridin-2(1H)-one
CID 86716047
2,2,2-trifluoro-N-[(6-piperidin-4-yl-1,2-dihydropyridin-4-yl)methyl]acetamide;dihydrochloride
CID 87327320
2,2,2-trifluoro-N-[(2-piperidin-4-yl-1,2-dihydropyridin-4-yl)methyl]acetamide;dihydrochloride
CID 87327322
2,2,2-trifluoro-N-[(E)-2-methylidene-4-piperidin-4-ylpent-3-enyl]acetamide
CID 88940834
2,2,2-trifluoro-N-(2-methylidene-4-piperidin-4-ylpent-3-enyl)acetamide
CID 123222641
N-(2,2-difluorobutyl)-9-ethyl-2-(piperidin-4-ylmethyl)-3,4-dihydro-2-benzazepine-8-carboxamide
CID 123247620
3,9-dimethyl-2-(piperidin-4-ylmethyl)-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2-benzazepine-8-carboxamide
CID 123843475

Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-4-ylmethyl)-5-(2,2,2-trifluoroethyl)pyridin-2-one?
The IUPAC name of 1-(piperidin-4-ylmethyl)-5-(2,2,2-trifluoroethyl)pyridin-2-one (CID 170075453) is 1-(piperidin-4-ylmethyl)-5-(2,2,2-trifluoroethyl)pyridin-2-one.
What is the SMILES notation for 1-(piperidin-4-ylmethyl)-5-(2,2,2-trifluoroethyl)pyridin-2-one?
The canonical SMILES for 1-(piperidin-4-ylmethyl)-5-(2,2,2-trifluoroethyl)pyridin-2-one is O=c1ccc(CC(F)(F)F)cn1CC1CCNCC1.
What is the InChIKey of 1-(piperidin-4-ylmethyl)-5-(2,2,2-trifluoroethyl)pyridin-2-one?
The InChIKey is SBAFNHQEYBXTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c14-13(15,16)7-11-1-2-12(19)18(9-11)8-10-3-5-17-6-4-10/h1-2,9-10,17H,3-8H2.
What are the key properties of 1-(piperidin-4-ylmethyl)-5-(2,2,2-trifluoroethyl)pyridin-2-one?
1-(piperidin-4-ylmethyl)-5-(2,2,2-trifluoroethyl)pyridin-2-one has a molecular weight of 274.29 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-4-ylmethyl)-5-(2,2,2-trifluoroethyl)pyridin-2-one is sourced from PubChem (CID 170075453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).