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

C10H12F2N2O — CID 163237925

IUPAC5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one
SMILESO=c1ccc(C2CNCCC2(F)F)c[nH]1
InChIInChI=1S/C10H12F2N2O/c11-10(12)3-4-13-6-8(10)7-1-2-9(15)14-5-7/h1-2,5,8,13H,3-4,6H2,(H,14,15)
InChIKeyHDGMGUOLBMDQRI-UHFFFAOYSA-N
MW214.21 g/mol
LogP1.09
Rot. Bonds1

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

5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one (PubChem CID 163237925) has the molecular formula C10H12F2N2O and a molecular weight of 214.21 g/mol. Its IUPAC name is 5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one
PubChem CID163237925
Molecular FormulaC10H12F2N2O
Molecular Weight214.21 g/mol
Exact Mass214.09
IUPAC Name5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one
SMILESO=c1ccc(C2CNCCC2(F)F)c[nH]1
InChIInChI=1S/C10H12F2N2O/c11-10(12)3-4-13-6-8(10)7-1-2-9(15)14-5-7/h1-2,5,8,13H,3-4,6H2,(H,14,15)
InChIKeyHDGMGUOLBMDQRI-UHFFFAOYSA-N
XLogP1.09
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 51.09
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
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-(4,4-difluoropiperidin-3-yl)-3-(2,2,2-trifluoroethyl)-1H-pyridin-2-one
CID 163237635
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-difluoropyrrolidin-3-yl)-1H-pyridin-2-one
CID 163237837

Frequently Asked Questions

What is the IUPAC name of 5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one?
The IUPAC name of 5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one (CID 163237925) is 5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one?
The canonical SMILES for 5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one is O=c1ccc(C2CNCCC2(F)F)c[nH]1.
What is the InChIKey of 5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one?
The InChIKey is HDGMGUOLBMDQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O/c11-10(12)3-4-13-6-8(10)7-1-2-9(15)14-5-7/h1-2,5,8,13H,3-4,6H2,(H,14,15).
What are the key properties of 5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one?
5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one has a molecular weight of 214.21 g/mol, XLogP of 1.09, 1 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)-1H-pyridin-2-one is sourced from PubChem (CID 163237925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).