3-benzyl-1-cyclopentyl-6-methylpiperazine-2,5-dione

C17H22N2O2 — CID 64958470

IUPAC3-benzyl-1-cyclopentyl-6-methylpiperazine-2,5-dione
SMILESCC1C(=O)NC(Cc2ccccc2)C(=O)N1C1CCCC1
InChIInChI=1S/C17H22N2O2/c1-12-16(20)18-15(11-13-7-3-2-4-8-13)17(21)19(12)14-9-5-6-10-14/h2-4,7-8,12,14-15H,5-6,9-11H2,1H3,(H,18,20)
InChIKeySOEYBYQAXYNEPE-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.89
Rot. Bonds3

About 3-benzyl-1-cyclopentyl-6-methylpiperazine-2,5-dione

3-benzyl-1-cyclopentyl-6-methylpiperazine-2,5-dione (PubChem CID 64958470) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-benzyl-1-cyclopentyl-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-benzyl-1-cyclopentyl-6-methylpiperazine-2,5-dione
PubChem CID64958470
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name3-benzyl-1-cyclopentyl-6-methylpiperazine-2,5-dione
SMILESCC1C(=O)NC(Cc2ccccc2)C(=O)N1C1CCCC1
InChIInChI=1S/C17H22N2O2/c1-12-16(20)18-15(11-13-7-3-2-4-8-13)17(21)19(12)14-9-5-6-10-14/h2-4,7-8,12,14-15H,5-6,9-11H2,1H3,(H,18,20)
InChIKeySOEYBYQAXYNEPE-UHFFFAOYSA-N
XLogP1.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-benzyl-1-cyclopentyl-6-methylpiperazine-2,5-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 3-benzyl-1-cyclopentyl-6-methylpiperazine-2,5-dione?
The IUPAC name of 3-benzyl-1-cyclopentyl-6-methylpiperazine-2,5-dione (CID 64958470) is 3-benzyl-1-cyclopentyl-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 3-benzyl-1-cyclopentyl-6-methylpiperazine-2,5-dione?
The canonical SMILES for 3-benzyl-1-cyclopentyl-6-methylpiperazine-2,5-dione is CC1C(=O)NC(Cc2ccccc2)C(=O)N1C1CCCC1.
What is the InChIKey of 3-benzyl-1-cyclopentyl-6-methylpiperazine-2,5-dione?
The InChIKey is SOEYBYQAXYNEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-16(20)18-15(11-13-7-3-2-4-8-13)17(21)19(12)14-9-5-6-10-14/h2-4,7-8,12,14-15H,5-6,9-11H2,1H3,(H,18,20).
What are the key properties of 3-benzyl-1-cyclopentyl-6-methylpiperazine-2,5-dione?
3-benzyl-1-cyclopentyl-6-methylpiperazine-2,5-dione has a molecular weight of 286.38 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-cyclopentyl-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 64958470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).