5-(4,4-difluoropiperidin-3-yl)-1-propan-2-ylpyridin-2-one

C13H18F2N2O — CID 163238151

IUPAC5-(4,4-difluoropiperidin-3-yl)-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(C2CNCCC2(F)F)ccc1=O
InChIInChI=1S/C13H18F2N2O/c1-9(2)17-8-10(3-4-12(17)18)11-7-16-6-5-13(11,14)15/h3-4,8-9,11,16H,5-7H2,1-2H3
InChIKeyDQJZYNHMQPLRLO-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.14
Rot. Bonds2

About 5-(4,4-difluoropiperidin-3-yl)-1-propan-2-ylpyridin-2-one

5-(4,4-difluoropiperidin-3-yl)-1-propan-2-ylpyridin-2-one (PubChem CID 163238151) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 5-(4,4-difluoropiperidin-3-yl)-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-(4,4-difluoropiperidin-3-yl)-1-propan-2-ylpyridin-2-one
PubChem CID163238151
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name5-(4,4-difluoropiperidin-3-yl)-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(C2CNCCC2(F)F)ccc1=O
InChIInChI=1S/C13H18F2N2O/c1-9(2)17-8-10(3-4-12(17)18)11-7-16-6-5-13(11,14)15/h3-4,8-9,11,16H,5-7H2,1-2H3
InChIKeyDQJZYNHMQPLRLO-UHFFFAOYSA-N
XLogP2.14
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.14
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)-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-[(2-piperidin-4-yl-1,2-dihydropyridin-4-yl)methyl]acetamide;dihydrochloride
CID 87327322
1-[4-(6-fluoro-5,6-dihydro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 123144780
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
1-Cyclopropyl-7-fluoro-9-methyl-8-piperidin-4-ylquinolizin-4-one
CID 141141494
2-[1-[(1R,4S)-4-aminocyclopent-2-en-1-yl]ethenyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;propane
CID 143085677
(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

Frequently Asked Questions

What is the IUPAC name of 5-(4,4-difluoropiperidin-3-yl)-1-propan-2-ylpyridin-2-one?
The IUPAC name of 5-(4,4-difluoropiperidin-3-yl)-1-propan-2-ylpyridin-2-one (CID 163238151) is 5-(4,4-difluoropiperidin-3-yl)-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 5-(4,4-difluoropiperidin-3-yl)-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 5-(4,4-difluoropiperidin-3-yl)-1-propan-2-ylpyridin-2-one is CC(C)n1cc(C2CNCCC2(F)F)ccc1=O.
What is the InChIKey of 5-(4,4-difluoropiperidin-3-yl)-1-propan-2-ylpyridin-2-one?
The InChIKey is DQJZYNHMQPLRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-9(2)17-8-10(3-4-12(17)18)11-7-16-6-5-13(11,14)15/h3-4,8-9,11,16H,5-7H2,1-2H3.
What are the key properties of 5-(4,4-difluoropiperidin-3-yl)-1-propan-2-ylpyridin-2-one?
5-(4,4-difluoropiperidin-3-yl)-1-propan-2-ylpyridin-2-one has a molecular weight of 256.30 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-difluoropiperidin-3-yl)-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 163238151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).