1-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyridin-2-one

C12H15F3N2O — CID 55171098

IUPAC1-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1CC1CCNCC1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)10-1-2-11(18)17(8-10)7-9-3-5-16-6-4-9/h1-2,8-9,16H,3-7H2
InChIKeyDJCOBXQDOXRGQF-UHFFFAOYSA-N
MW260.26 g/mol
LogP1.87
Rot. Bonds2

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

1-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyridin-2-one (PubChem CID 55171098) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 1-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyridin-2-one
PubChem CID55171098
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name1-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1CC1CCNCC1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)10-1-2-11(18)17(8-10)7-9-3-5-16-6-4-9/h1-2,8-9,16H,3-7H2
InChIKeyDJCOBXQDOXRGQF-UHFFFAOYSA-N
XLogP1.87
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-(Difluoromethyl)-4-piperidin-4-ylpyridin-2-one
CID 59627430
1-(Difluoromethyl)-5-piperidin-4-ylpyridin-2-one
CID 59627442
2,2,2-trifluoro-N-[(2-piperidin-4-yl-1,2-dihydropyridin-4-yl)methyl]acetamide;dihydrochloride
CID 87327322
4-Fluoro-1-(piperidin-4-ylmethyl)pyridin-2-one
CID 90038622
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
(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
N-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methyl]pentalene-1-carboxamide
CID 160041234
5-(trifluoromethyl)piperidin-2-one;5-(trifluoromethyl)-1H-pyridin-2-one
CID 161729260
3-(aminomethyl)-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one
CID 163237615

Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyridin-2-one (CID 55171098) is 1-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyridin-2-one is O=c1ccc(C(F)(F)F)cn1CC1CCNCC1.
What is the InChIKey of 1-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is DJCOBXQDOXRGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c13-12(14,15)10-1-2-11(18)17(8-10)7-9-3-5-16-6-4-9/h1-2,8-9,16H,3-7H2.
What are the key properties of 1-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyridin-2-one?
1-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 260.26 g/mol, XLogP of 1.87, 2 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-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 55171098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).