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

C11H14F2N2O — CID 163238253

IUPAC5-(4,4-difluoro-3-methylpiperidin-3-yl)-1H-pyridin-2-one
SMILESCC1(c2ccc(=O)[nH]c2)CNCCC1(F)F
InChIInChI=1S/C11H14F2N2O/c1-10(7-14-5-4-11(10,12)13)8-2-3-9(16)15-6-8/h2-3,6,14H,4-5,7H2,1H3,(H,15,16)
InChIKeyGLWQOPVPOXTOCS-UHFFFAOYSA-N
MW228.24 g/mol
LogP1.26
Rot. Bonds1

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

5-(4,4-difluoro-3-methylpiperidin-3-yl)-1H-pyridin-2-one (PubChem CID 163238253) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is 5-(4,4-difluoro-3-methylpiperidin-3-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(4,4-difluoro-3-methylpiperidin-3-yl)-1H-pyridin-2-one
PubChem CID163238253
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC Name5-(4,4-difluoro-3-methylpiperidin-3-yl)-1H-pyridin-2-one
SMILESCC1(c2ccc(=O)[nH]c2)CNCCC1(F)F
InChIInChI=1S/C11H14F2N2O/c1-10(7-14-5-4-11(10,12)13)8-2-3-9(16)15-6-8/h2-3,6,14H,4-5,7H2,1H3,(H,15,16)
InChIKeyGLWQOPVPOXTOCS-UHFFFAOYSA-N
XLogP1.26
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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
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-Difluoropiperidin-3-yl)-1-ethylpyridin-2-one
CID 163237844
5-(4,4-Difluoropiperidin-3-yl)pyridin-2(1H)-one
CID 163237925
5-(4,4-Difluoropiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 163238045

Frequently Asked Questions

What is the IUPAC name of 5-(4,4-difluoro-3-methylpiperidin-3-yl)-1H-pyridin-2-one?
The IUPAC name of 5-(4,4-difluoro-3-methylpiperidin-3-yl)-1H-pyridin-2-one (CID 163238253) is 5-(4,4-difluoro-3-methylpiperidin-3-yl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(4,4-difluoro-3-methylpiperidin-3-yl)-1H-pyridin-2-one?
The canonical SMILES for 5-(4,4-difluoro-3-methylpiperidin-3-yl)-1H-pyridin-2-one is CC1(c2ccc(=O)[nH]c2)CNCCC1(F)F.
What is the InChIKey of 5-(4,4-difluoro-3-methylpiperidin-3-yl)-1H-pyridin-2-one?
The InChIKey is GLWQOPVPOXTOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c1-10(7-14-5-4-11(10,12)13)8-2-3-9(16)15-6-8/h2-3,6,14H,4-5,7H2,1H3,(H,15,16).
What are the key properties of 5-(4,4-difluoro-3-methylpiperidin-3-yl)-1H-pyridin-2-one?
5-(4,4-difluoro-3-methylpiperidin-3-yl)-1H-pyridin-2-one has a molecular weight of 228.24 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-difluoro-3-methylpiperidin-3-yl)-1H-pyridin-2-one is sourced from PubChem (CID 163238253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).