5-methyl-1-piperidin-2-ylazepan-2-one

C12H22N2O — CID 112546578

IUPAC5-methyl-1-piperidin-2-ylazepan-2-one
SMILESCC1CCC(=O)N(C2CCCCN2)CC1
InChIInChI=1S/C12H22N2O/c1-10-5-6-12(15)14(9-7-10)11-4-2-3-8-13-11/h10-11,13H,2-9H2,1H3
InChIKeyJFHZOMLMVJUYJT-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.73
Rot. Bonds1

About 5-methyl-1-piperidin-2-ylazepan-2-one

5-methyl-1-piperidin-2-ylazepan-2-one (PubChem CID 112546578) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 5-methyl-1-piperidin-2-ylazepan-2-one.

Molecular Properties

Compound Name5-methyl-1-piperidin-2-ylazepan-2-one
PubChem CID112546578
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name5-methyl-1-piperidin-2-ylazepan-2-one
SMILESCC1CCC(=O)N(C2CCCCN2)CC1
InChIInChI=1S/C12H22N2O/c1-10-5-6-12(15)14(9-7-10)11-4-2-3-8-13-11/h10-11,13H,2-9H2,1H3
InChIKeyJFHZOMLMVJUYJT-UHFFFAOYSA-N
XLogP1.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-methyl-1-piperidin-2-ylazepan-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

Related Compounds

5-methyl-1-pyrrolidin-2-ylpiperidin-2-one
CID 112546332
1-pyrrolidin-2-ylazetidin-2-one
CID 112546295
1-piperidin-2-ylimidazolidin-2-one
CID 112546311
6-piperidin-2-yl-6-azaspiro[2.5]octan-7-one
CID 112546543
1-piperidin-2-ylpiperidine-2,6-dione
CID 112546401
5-methyl-1-pyrrolidin-2-yl-1,3-diazinan-2-one
CID 112546349
4-pyrrolidin-2-ylthiomorpholin-3-one
CID 112546378
4-methyl-2-piperidin-2-ylcyclohexan-1-one
CID 79539174
8-methyl-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
CID 118636069
7-methyl-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one
CID 13092247
3,4-dimethyl-1-pyrrolidin-2-yl-1,4-diazepan-5-one
CID 112546665
5-methyl-1-[(3R)-piperidin-3-yl]piperidin-2-one
CID 166162657

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-piperidin-2-ylazepan-2-one?
The IUPAC name of 5-methyl-1-piperidin-2-ylazepan-2-one (CID 112546578) is 5-methyl-1-piperidin-2-ylazepan-2-one.
What is the SMILES notation for 5-methyl-1-piperidin-2-ylazepan-2-one?
The canonical SMILES for 5-methyl-1-piperidin-2-ylazepan-2-one is CC1CCC(=O)N(C2CCCCN2)CC1.
What is the InChIKey of 5-methyl-1-piperidin-2-ylazepan-2-one?
The InChIKey is JFHZOMLMVJUYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10-5-6-12(15)14(9-7-10)11-4-2-3-8-13-11/h10-11,13H,2-9H2,1H3.
What are the key properties of 5-methyl-1-piperidin-2-ylazepan-2-one?
5-methyl-1-piperidin-2-ylazepan-2-one has a molecular weight of 210.32 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-piperidin-2-ylazepan-2-one is sourced from PubChem (CID 112546578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).