5-(4,4-difluoropiperidin-3-yl)-3-(2,2,2-trifluoroethyl)-1H-pyridin-2-one

C12H13F5N2O — CID 163237635

IUPAC5-(4,4-difluoropiperidin-3-yl)-3-(2,2,2-trifluoroethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(C2CNCCC2(F)F)cc1CC(F)(F)F
InChIInChI=1S/C12H13F5N2O/c13-11(14)1-2-18-6-9(11)8-3-7(4-12(15,16)17)10(20)19-5-8/h3,5,9,18H,1-2,4,6H2,(H,19,20)
InChIKeyJZDATOSDEQDRJS-UHFFFAOYSA-N
MW296.24 g/mol
LogP2.19
Rot. Bonds2

About 5-(4,4-difluoropiperidin-3-yl)-3-(2,2,2-trifluoroethyl)-1H-pyridin-2-one

5-(4,4-difluoropiperidin-3-yl)-3-(2,2,2-trifluoroethyl)-1H-pyridin-2-one (PubChem CID 163237635) has the molecular formula C12H13F5N2O and a molecular weight of 296.24 g/mol. Its IUPAC name is 5-(4,4-difluoropiperidin-3-yl)-3-(2,2,2-trifluoroethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(4,4-difluoropiperidin-3-yl)-3-(2,2,2-trifluoroethyl)-1H-pyridin-2-one
PubChem CID163237635
Molecular FormulaC12H13F5N2O
Molecular Weight296.24 g/mol
Exact Mass296.09
IUPAC Name5-(4,4-difluoropiperidin-3-yl)-3-(2,2,2-trifluoroethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(C2CNCCC2(F)F)cc1CC(F)(F)F
InChIInChI=1S/C12H13F5N2O/c13-11(14)1-2-18-6-9(11)8-3-7(4-12(15,16)17)10(20)19-5-8/h3,5,9,18H,1-2,4,6H2,(H,19,20)
InChIKeyJZDATOSDEQDRJS-UHFFFAOYSA-N
XLogP2.19
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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
2-fluoro-4-(trifluoromethyl)-N-[5-(trifluoromethyl)piperidin-2-yl]cyclohexa-1,3-diene-1-carboxamide
CID 118088112
N-(2,2-difluorobutyl)-9-ethyl-2-(piperidin-4-ylmethyl)-3,4-dihydro-2-benzazepine-8-carboxamide
CID 123247620
(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
3-(aminomethyl)-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one
CID 163237615
5-Piperidin-3-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 163237734
1-(2,2-Difluoroethyl)-5-(4,4-difluoropiperidin-3-yl)pyridin-2-one
CID 163237763
5-(4,4-Difluoropiperidin-3-yl)-1-ethylpyridin-2-one
CID 163237844

Frequently Asked Questions

What is the IUPAC name of 5-(4,4-difluoropiperidin-3-yl)-3-(2,2,2-trifluoroethyl)-1H-pyridin-2-one?
The IUPAC name of 5-(4,4-difluoropiperidin-3-yl)-3-(2,2,2-trifluoroethyl)-1H-pyridin-2-one (CID 163237635) is 5-(4,4-difluoropiperidin-3-yl)-3-(2,2,2-trifluoroethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(4,4-difluoropiperidin-3-yl)-3-(2,2,2-trifluoroethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(4,4-difluoropiperidin-3-yl)-3-(2,2,2-trifluoroethyl)-1H-pyridin-2-one is O=c1[nH]cc(C2CNCCC2(F)F)cc1CC(F)(F)F.
What is the InChIKey of 5-(4,4-difluoropiperidin-3-yl)-3-(2,2,2-trifluoroethyl)-1H-pyridin-2-one?
The InChIKey is JZDATOSDEQDRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F5N2O/c13-11(14)1-2-18-6-9(11)8-3-7(4-12(15,16)17)10(20)19-5-8/h3,5,9,18H,1-2,4,6H2,(H,19,20).
What are the key properties of 5-(4,4-difluoropiperidin-3-yl)-3-(2,2,2-trifluoroethyl)-1H-pyridin-2-one?
5-(4,4-difluoropiperidin-3-yl)-3-(2,2,2-trifluoroethyl)-1H-pyridin-2-one has a molecular weight of 296.24 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-difluoropiperidin-3-yl)-3-(2,2,2-trifluoroethyl)-1H-pyridin-2-one is sourced from PubChem (CID 163237635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).