4-(2-cyclohexylethyl)piperazine-2,6-dione

C12H20N2O2 — CID 63787691

IUPAC4-(2-cyclohexylethyl)piperazine-2,6-dione
SMILESO=C1CN(CCC2CCCCC2)CC(=O)N1
InChIInChI=1S/C12H20N2O2/c15-11-8-14(9-12(16)13-11)7-6-10-4-2-1-3-5-10/h10H,1-9H2,(H,13,15,16)
InChIKeyUEHLHIOYKLMZPM-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.92
Rot. Bonds3

About 4-(2-cyclohexylethyl)piperazine-2,6-dione

4-(2-cyclohexylethyl)piperazine-2,6-dione (PubChem CID 63787691) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-(2-cyclohexylethyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(2-cyclohexylethyl)piperazine-2,6-dione
PubChem CID63787691
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name4-(2-cyclohexylethyl)piperazine-2,6-dione
SMILESO=C1CN(CCC2CCCCC2)CC(=O)N1
InChIInChI=1S/C12H20N2O2/c15-11-8-14(9-12(16)13-11)7-6-10-4-2-1-3-5-10/h10H,1-9H2,(H,13,15,16)
InChIKeyUEHLHIOYKLMZPM-UHFFFAOYSA-N
XLogP0.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2-cyclohexylethyl)piperazine-2,6-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 4-(2-cyclohexylethyl)piperazine-2,6-dione?
The IUPAC name of 4-(2-cyclohexylethyl)piperazine-2,6-dione (CID 63787691) is 4-(2-cyclohexylethyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(2-cyclohexylethyl)piperazine-2,6-dione?
The canonical SMILES for 4-(2-cyclohexylethyl)piperazine-2,6-dione is O=C1CN(CCC2CCCCC2)CC(=O)N1.
What is the InChIKey of 4-(2-cyclohexylethyl)piperazine-2,6-dione?
The InChIKey is UEHLHIOYKLMZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c15-11-8-14(9-12(16)13-11)7-6-10-4-2-1-3-5-10/h10H,1-9H2,(H,13,15,16).
What are the key properties of 4-(2-cyclohexylethyl)piperazine-2,6-dione?
4-(2-cyclohexylethyl)piperazine-2,6-dione has a molecular weight of 224.30 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclohexylethyl)piperazine-2,6-dione is sourced from PubChem (CID 63787691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).