3-cyclopropyl-3-methyl-1-(3-methylphenyl)piperazine-2,5-dione

C15H18N2O2 — CID 64959497

IUPAC3-cyclopropyl-3-methyl-1-(3-methylphenyl)piperazine-2,5-dione
SMILESCc1cccc(N2CC(=O)NC(C)(C3CC3)C2=O)c1
InChIInChI=1S/C15H18N2O2/c1-10-4-3-5-12(8-10)17-9-13(18)16-15(2,14(17)19)11-6-7-11/h3-5,8,11H,6-7,9H2,1-2H3,(H,16,18)
InChIKeyQLCYKEMKYLQHGU-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.63
Rot. Bonds2

About 3-cyclopropyl-3-methyl-1-(3-methylphenyl)piperazine-2,5-dione

3-cyclopropyl-3-methyl-1-(3-methylphenyl)piperazine-2,5-dione (PubChem CID 64959497) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-cyclopropyl-3-methyl-1-(3-methylphenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-3-methyl-1-(3-methylphenyl)piperazine-2,5-dione
PubChem CID64959497
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-cyclopropyl-3-methyl-1-(3-methylphenyl)piperazine-2,5-dione
SMILESCc1cccc(N2CC(=O)NC(C)(C3CC3)C2=O)c1
InChIInChI=1S/C15H18N2O2/c1-10-4-3-5-12(8-10)17-9-13(18)16-15(2,14(17)19)11-6-7-11/h3-5,8,11H,6-7,9H2,1-2H3,(H,16,18)
InChIKeyQLCYKEMKYLQHGU-UHFFFAOYSA-N
XLogP1.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-cyclopropyl-3-methyl-1-(3-methylphenyl)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

Related Compounds

3-cyclopropyl-1-(3,5-dimethylphenyl)-3-methylpiperazine-2,5-dione
CID 64958945
1-(3-bromo-4-methylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione
CID 64970712
1-(4-bromo-3,5-dimethylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione
CID 107580172
1-(4-chloro-3-fluorophenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione
CID 64964941
3-cyclopropyl-1-(3,5-dichloro-4-fluorophenyl)-3-methylpiperazine-2,5-dione
CID 107580238
1-(5-chloro-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione
CID 64961466
3-cyclopropyl-1-(4-fluoro-2-methylphenyl)-3-methylpiperazine-2,5-dione
CID 64958067
3-cyclopropyl-3-methyl-1-(2,4,5-trichlorophenyl)piperazine-2,5-dione
CID 64962108
1-(2-chloro-5-methylphenyl)-3-cyclopropyl-3-methyl-1,4-diazepane-2,5-dione
CID 107640186
3-cyclopropyl-1-(2-fluoro-4-methylphenyl)-3-methyl-1,4-diazepane-2,5-dione
CID 64959920
1-(2-bromo-4,6-difluorophenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione
CID 64963383
3-cyclopropyl-3,6-dimethyl-1-[(3-methylphenyl)methyl]piperazine-2,5-dione
CID 64886897

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-methyl-1-(3-methylphenyl)piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-3-methyl-1-(3-methylphenyl)piperazine-2,5-dione (CID 64959497) is 3-cyclopropyl-3-methyl-1-(3-methylphenyl)piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-3-methyl-1-(3-methylphenyl)piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-3-methyl-1-(3-methylphenyl)piperazine-2,5-dione is Cc1cccc(N2CC(=O)NC(C)(C3CC3)C2=O)c1.
What is the InChIKey of 3-cyclopropyl-3-methyl-1-(3-methylphenyl)piperazine-2,5-dione?
The InChIKey is QLCYKEMKYLQHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10-4-3-5-12(8-10)17-9-13(18)16-15(2,14(17)19)11-6-7-11/h3-5,8,11H,6-7,9H2,1-2H3,(H,16,18).
What are the key properties of 3-cyclopropyl-3-methyl-1-(3-methylphenyl)piperazine-2,5-dione?
3-cyclopropyl-3-methyl-1-(3-methylphenyl)piperazine-2,5-dione has a molecular weight of 258.32 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-methyl-1-(3-methylphenyl)piperazine-2,5-dione is sourced from PubChem (CID 64959497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).