3,6-dimethyl-1-[2-(2-methylphenyl)ethyl]piperazine-2,5-dione

C15H20N2O2 — CID 79755635

IUPAC3,6-dimethyl-1-[2-(2-methylphenyl)ethyl]piperazine-2,5-dione
SMILESCc1ccccc1CCN1C(=O)C(C)NC(=O)C1C
InChIInChI=1S/C15H20N2O2/c1-10-6-4-5-7-13(10)8-9-17-12(3)14(18)16-11(2)15(17)19/h4-7,11-12H,8-9H2,1-3H3,(H,16,18)
InChIKeyCPKZIQRQAFOLHX-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.27
Rot. Bonds3

About 3,6-dimethyl-1-[2-(2-methylphenyl)ethyl]piperazine-2,5-dione

3,6-dimethyl-1-[2-(2-methylphenyl)ethyl]piperazine-2,5-dione (PubChem CID 79755635) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3,6-dimethyl-1-[2-(2-methylphenyl)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3,6-dimethyl-1-[2-(2-methylphenyl)ethyl]piperazine-2,5-dione
PubChem CID79755635
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3,6-dimethyl-1-[2-(2-methylphenyl)ethyl]piperazine-2,5-dione
SMILESCc1ccccc1CCN1C(=O)C(C)NC(=O)C1C
InChIInChI=1S/C15H20N2O2/c1-10-6-4-5-7-13(10)8-9-17-12(3)14(18)16-11(2)15(17)19/h4-7,11-12H,8-9H2,1-3H3,(H,16,18)
InChIKeyCPKZIQRQAFOLHX-UHFFFAOYSA-N
XLogP1.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,6-dimethyl-1-[2-(2-methylphenyl)ethyl]piperazine-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 3,6-dimethyl-1-[2-(2-methylphenyl)ethyl]piperazine-2,5-dione?
The IUPAC name of 3,6-dimethyl-1-[2-(2-methylphenyl)ethyl]piperazine-2,5-dione (CID 79755635) is 3,6-dimethyl-1-[2-(2-methylphenyl)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 3,6-dimethyl-1-[2-(2-methylphenyl)ethyl]piperazine-2,5-dione?
The canonical SMILES for 3,6-dimethyl-1-[2-(2-methylphenyl)ethyl]piperazine-2,5-dione is Cc1ccccc1CCN1C(=O)C(C)NC(=O)C1C.
What is the InChIKey of 3,6-dimethyl-1-[2-(2-methylphenyl)ethyl]piperazine-2,5-dione?
The InChIKey is CPKZIQRQAFOLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10-6-4-5-7-13(10)8-9-17-12(3)14(18)16-11(2)15(17)19/h4-7,11-12H,8-9H2,1-3H3,(H,16,18).
What are the key properties of 3,6-dimethyl-1-[2-(2-methylphenyl)ethyl]piperazine-2,5-dione?
3,6-dimethyl-1-[2-(2-methylphenyl)ethyl]piperazine-2,5-dione has a molecular weight of 260.34 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1-[2-(2-methylphenyl)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 79755635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).