1-(azepan-1-yl)-2-(3-hydroxypiperidin-1-yl)ethanone

C13H24N2O2 — CID 60645144

IUPAC1-(azepan-1-yl)-2-(3-hydroxypiperidin-1-yl)ethanone
SMILESO=C(CN1CCCC(O)C1)N1CCCCCC1
InChIInChI=1S/C13H24N2O2/c16-12-6-5-7-14(10-12)11-13(17)15-8-3-1-2-4-9-15/h12,16H,1-11H2
InChIKeyYKAFWSHVUHEDQJ-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.85
Rot. Bonds2

About 1-(azepan-1-yl)-2-(3-hydroxypiperidin-1-yl)ethanone

1-(azepan-1-yl)-2-(3-hydroxypiperidin-1-yl)ethanone (PubChem CID 60645144) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-(3-hydroxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-(3-hydroxypiperidin-1-yl)ethanone
PubChem CID60645144
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-(azepan-1-yl)-2-(3-hydroxypiperidin-1-yl)ethanone
SMILESO=C(CN1CCCC(O)C1)N1CCCCCC1
InChIInChI=1S/C13H24N2O2/c16-12-6-5-7-14(10-12)11-13(17)15-8-3-1-2-4-9-15/h12,16H,1-11H2
InChIKeyYKAFWSHVUHEDQJ-UHFFFAOYSA-N
XLogP0.85
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(azepan-1-yl)-2-(3-hydroxypiperidin-1-yl)ethanone 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-(azepan-1-yl)-2-(3-hydroxypiperidin-1-yl)ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-(3-hydroxypiperidin-1-yl)ethanone (CID 60645144) is 1-(azepan-1-yl)-2-(3-hydroxypiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-(3-hydroxypiperidin-1-yl)ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-(3-hydroxypiperidin-1-yl)ethanone is O=C(CN1CCCC(O)C1)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-(3-hydroxypiperidin-1-yl)ethanone?
The InChIKey is YKAFWSHVUHEDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c16-12-6-5-7-14(10-12)11-13(17)15-8-3-1-2-4-9-15/h12,16H,1-11H2.
What are the key properties of 1-(azepan-1-yl)-2-(3-hydroxypiperidin-1-yl)ethanone?
1-(azepan-1-yl)-2-(3-hydroxypiperidin-1-yl)ethanone has a molecular weight of 240.35 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-(3-hydroxypiperidin-1-yl)ethanone is sourced from PubChem (CID 60645144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).