1-benzoyl-2-methylpiperidin-4-one

C13H15NO2 — CID 2838156

IUPAC1-benzoyl-2-methylpiperidin-4-one
SMILESCC1CC(=O)CCN1C(=O)c1ccccc1
InChIInChI=1S/C13H15NO2/c1-10-9-12(15)7-8-14(10)13(16)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3
InChIKeyQAHSDYAKLVNWDV-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.88
Rot. Bonds1

About 1-benzoyl-2-methylpiperidin-4-one

1-benzoyl-2-methylpiperidin-4-one (PubChem CID 2838156) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-benzoyl-2-methylpiperidin-4-one.

Molecular Properties

Compound Name1-benzoyl-2-methylpiperidin-4-one
PubChem CID2838156
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name1-benzoyl-2-methylpiperidin-4-one
SMILESCC1CC(=O)CCN1C(=O)c1ccccc1
InChIInChI=1S/C13H15NO2/c1-10-9-12(15)7-8-14(10)13(16)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3
InChIKeyQAHSDYAKLVNWDV-UHFFFAOYSA-N
XLogP1.88
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-benzoyl-2-methylpiperidin-4-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-benzoyl-2-methylpiperidin-4-one?
The IUPAC name of 1-benzoyl-2-methylpiperidin-4-one (CID 2838156) is 1-benzoyl-2-methylpiperidin-4-one.
What is the SMILES notation for 1-benzoyl-2-methylpiperidin-4-one?
The canonical SMILES for 1-benzoyl-2-methylpiperidin-4-one is CC1CC(=O)CCN1C(=O)c1ccccc1.
What is the InChIKey of 1-benzoyl-2-methylpiperidin-4-one?
The InChIKey is QAHSDYAKLVNWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-10-9-12(15)7-8-14(10)13(16)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3.
What are the key properties of 1-benzoyl-2-methylpiperidin-4-one?
1-benzoyl-2-methylpiperidin-4-one has a molecular weight of 217.27 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-2-methylpiperidin-4-one is sourced from PubChem (CID 2838156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).