1-(difluoromethyl)-4-piperidin-4-ylpyridin-2-one

C11H14F2N2O — CID 59627430

IUPAC1-(difluoromethyl)-4-piperidin-4-ylpyridin-2-one
SMILESO=c1cc(C2CCNCC2)ccn1C(F)F
InChIInChI=1S/C11H14F2N2O/c12-11(13)15-6-3-9(7-10(15)16)8-1-4-14-5-2-8/h3,6-8,11,14H,1-2,4-5H2
InChIKeyKKGAAUFXDDTZLY-UHFFFAOYSA-N
MW228.24 g/mol
LogP1.71
Rot. Bonds2

About 1-(difluoromethyl)-4-piperidin-4-ylpyridin-2-one

1-(difluoromethyl)-4-piperidin-4-ylpyridin-2-one (PubChem CID 59627430) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is 1-(difluoromethyl)-4-piperidin-4-ylpyridin-2-one.

Molecular Properties

Compound Name1-(difluoromethyl)-4-piperidin-4-ylpyridin-2-one
PubChem CID59627430
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC Name1-(difluoromethyl)-4-piperidin-4-ylpyridin-2-one
SMILESO=c1cc(C2CCNCC2)ccn1C(F)F
InChIInChI=1S/C11H14F2N2O/c12-11(13)15-6-3-9(7-10(15)16)8-1-4-14-5-2-8/h3,6-8,11,14H,1-2,4-5H2
InChIKeyKKGAAUFXDDTZLY-UHFFFAOYSA-N
XLogP1.71
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 51.71
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
1-(piperidin-4-ylmethyl)-5-(trifluoromethyl)pyridin-2(1H)-one
CID 55171098
1-(Difluoromethyl)-5-piperidin-4-ylpyridin-2-one
CID 59627442
7-amino-N-trifluoroacetyl tetrahydroisoquinoline
CID 86618781
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
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
5-[2-(dimethylamino)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one
CID 139579857
(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

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-4-piperidin-4-ylpyridin-2-one?
The IUPAC name of 1-(difluoromethyl)-4-piperidin-4-ylpyridin-2-one (CID 59627430) is 1-(difluoromethyl)-4-piperidin-4-ylpyridin-2-one.
What is the SMILES notation for 1-(difluoromethyl)-4-piperidin-4-ylpyridin-2-one?
The canonical SMILES for 1-(difluoromethyl)-4-piperidin-4-ylpyridin-2-one is O=c1cc(C2CCNCC2)ccn1C(F)F.
What is the InChIKey of 1-(difluoromethyl)-4-piperidin-4-ylpyridin-2-one?
The InChIKey is KKGAAUFXDDTZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c12-11(13)15-6-3-9(7-10(15)16)8-1-4-14-5-2-8/h3,6-8,11,14H,1-2,4-5H2.
What are the key properties of 1-(difluoromethyl)-4-piperidin-4-ylpyridin-2-one?
1-(difluoromethyl)-4-piperidin-4-ylpyridin-2-one has a molecular weight of 228.24 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-4-piperidin-4-ylpyridin-2-one is sourced from PubChem (CID 59627430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).