1-(3-bromo-4-methylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione

C15H17BrN2O2 — CID 64970712

IUPAC1-(3-bromo-4-methylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione
SMILESCc1ccc(N2CC(=O)NC(C)(C3CC3)C2=O)cc1Br
InChIInChI=1S/C15H17BrN2O2/c1-9-3-6-11(7-12(9)16)18-8-13(19)17-15(2,14(18)20)10-4-5-10/h3,6-7,10H,4-5,8H2,1-2H3,(H,17,19)
InChIKeyQIFZJDNJRYFGIM-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.39
Rot. Bonds2

About 1-(3-bromo-4-methylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione

1-(3-bromo-4-methylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione (PubChem CID 64970712) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione
PubChem CID64970712
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name1-(3-bromo-4-methylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione
SMILESCc1ccc(N2CC(=O)NC(C)(C3CC3)C2=O)cc1Br
InChIInChI=1S/C15H17BrN2O2/c1-9-3-6-11(7-12(9)16)18-8-13(19)17-15(2,14(18)20)10-4-5-10/h3,6-7,10H,4-5,8H2,1-2H3,(H,17,19)
InChIKeyQIFZJDNJRYFGIM-UHFFFAOYSA-N
XLogP2.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromo-4-methylphenyl)-3-cyclopropyl-3-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

Related Compounds

1-(4-bromo-3,5-dimethylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione
CID 107580172
3-cyclopropyl-3-methyl-1-(3-methylphenyl)piperazine-2,5-dione
CID 64959497
3-cyclopropyl-1-(3,5-dimethylphenyl)-3-methylpiperazine-2,5-dione
CID 64958945
1-(3-bromo-4-methylphenyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
CID 64970664
1-(4-chloro-3-fluorophenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione
CID 64964941
1-(5-chloro-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione
CID 64961466
3-cyclopropyl-1-(3,5-dichloro-4-fluorophenyl)-3-methylpiperazine-2,5-dione
CID 107580238
3-cyclopropyl-1-(4-fluoro-2-methylphenyl)-3-methylpiperazine-2,5-dione
CID 64958067
1-(2-bromo-4,6-difluorophenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione
CID 64963383
3-cyclopropyl-3-methyl-1-(2,4,5-trichlorophenyl)piperazine-2,5-dione
CID 64962108
1-(3-bromo-4-methylphenyl)-3,3,5-trimethyl-1,4-diazepan-2-one
CID 84606522
3-cyclopropyl-1-(2,4-difluorophenyl)-3-methylpiperazine-2,5-dione
CID 64957821

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione (CID 64970712) is 1-(3-bromo-4-methylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione is Cc1ccc(N2CC(=O)NC(C)(C3CC3)C2=O)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione?
The InChIKey is QIFZJDNJRYFGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-9-3-6-11(7-12(9)16)18-8-13(19)17-15(2,14(18)20)10-4-5-10/h3,6-7,10H,4-5,8H2,1-2H3,(H,17,19).
What are the key properties of 1-(3-bromo-4-methylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione?
1-(3-bromo-4-methylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione has a molecular weight of 337.22 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64970712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).