1-(1-piperidin-2-ylethyl)azepane-2,7-dione

C13H22N2O2 — CID 43523558

IUPAC1-(1-piperidin-2-ylethyl)azepane-2,7-dione
SMILESCC(C1CCCCN1)N1C(=O)CCCCC1=O
InChIInChI=1S/C13H22N2O2/c1-10(11-6-4-5-9-14-11)15-12(16)7-2-3-8-13(15)17/h10-11,14H,2-9H2,1H3
InChIKeyACSFAHBBZPWORI-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.45
Rot. Bonds2

About 1-(1-piperidin-2-ylethyl)azepane-2,7-dione

1-(1-piperidin-2-ylethyl)azepane-2,7-dione (PubChem CID 43523558) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(1-piperidin-2-ylethyl)azepane-2,7-dione.

Molecular Properties

Compound Name1-(1-piperidin-2-ylethyl)azepane-2,7-dione
PubChem CID43523558
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-(1-piperidin-2-ylethyl)azepane-2,7-dione
SMILESCC(C1CCCCN1)N1C(=O)CCCCC1=O
InChIInChI=1S/C13H22N2O2/c1-10(11-6-4-5-9-14-11)15-12(16)7-2-3-8-13(15)17/h10-11,14H,2-9H2,1H3
InChIKeyACSFAHBBZPWORI-UHFFFAOYSA-N
XLogP1.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-(1-piperidin-2-ylethyl)azepane-2,7-dione 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-(1-piperidin-2-ylethyl)azepane-2,7-dione?
The IUPAC name of 1-(1-piperidin-2-ylethyl)azepane-2,7-dione (CID 43523558) is 1-(1-piperidin-2-ylethyl)azepane-2,7-dione.
What is the SMILES notation for 1-(1-piperidin-2-ylethyl)azepane-2,7-dione?
The canonical SMILES for 1-(1-piperidin-2-ylethyl)azepane-2,7-dione is CC(C1CCCCN1)N1C(=O)CCCCC1=O.
What is the InChIKey of 1-(1-piperidin-2-ylethyl)azepane-2,7-dione?
The InChIKey is ACSFAHBBZPWORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10(11-6-4-5-9-14-11)15-12(16)7-2-3-8-13(15)17/h10-11,14H,2-9H2,1H3.
What are the key properties of 1-(1-piperidin-2-ylethyl)azepane-2,7-dione?
1-(1-piperidin-2-ylethyl)azepane-2,7-dione has a molecular weight of 238.33 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-piperidin-2-ylethyl)azepane-2,7-dione is sourced from PubChem (CID 43523558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).