1-(difluoromethyl)-5-piperidin-4-ylpyridin-2-one

C11H14F2N2O — CID 59627442

IUPAC1-(difluoromethyl)-5-piperidin-4-ylpyridin-2-one
SMILESO=c1ccc(C2CCNCC2)cn1C(F)F
InChIInChI=1S/C11H14F2N2O/c12-11(13)15-7-9(1-2-10(15)16)8-3-5-14-6-4-8/h1-2,7-8,11,14H,3-6H2
InChIKeyQTDYJVOFUKNRDP-UHFFFAOYSA-N
MW228.24 g/mol
LogP1.71
Rot. Bonds2

About 1-(difluoromethyl)-5-piperidin-4-ylpyridin-2-one

1-(difluoromethyl)-5-piperidin-4-ylpyridin-2-one (PubChem CID 59627442) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is 1-(difluoromethyl)-5-piperidin-4-ylpyridin-2-one.

Molecular Properties

Compound Name1-(difluoromethyl)-5-piperidin-4-ylpyridin-2-one
PubChem CID59627442
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC Name1-(difluoromethyl)-5-piperidin-4-ylpyridin-2-one
SMILESO=c1ccc(C2CCNCC2)cn1C(F)F
InChIInChI=1S/C11H14F2N2O/c12-11(13)15-7-9(1-2-10(15)16)8-3-5-14-6-4-8/h1-2,7-8,11,14H,3-6H2
InChIKeyQTDYJVOFUKNRDP-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

Analyze 1-(difluoromethyl)-5-piperidin-4-ylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-5-piperidin-4-ylpyridin-2-one?
The IUPAC name of 1-(difluoromethyl)-5-piperidin-4-ylpyridin-2-one (CID 59627442) is 1-(difluoromethyl)-5-piperidin-4-ylpyridin-2-one.
What is the SMILES notation for 1-(difluoromethyl)-5-piperidin-4-ylpyridin-2-one?
The canonical SMILES for 1-(difluoromethyl)-5-piperidin-4-ylpyridin-2-one is O=c1ccc(C2CCNCC2)cn1C(F)F.
What is the InChIKey of 1-(difluoromethyl)-5-piperidin-4-ylpyridin-2-one?
The InChIKey is QTDYJVOFUKNRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c12-11(13)15-7-9(1-2-10(15)16)8-3-5-14-6-4-8/h1-2,7-8,11,14H,3-6H2.
What are the key properties of 1-(difluoromethyl)-5-piperidin-4-ylpyridin-2-one?
1-(difluoromethyl)-5-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)-5-piperidin-4-ylpyridin-2-one is sourced from PubChem (CID 59627442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).