1-(3-bromo-2-methylphenyl)piperazine-2,5-dione

C11H11BrN2O2 — CID 107640130

IUPAC1-(3-bromo-2-methylphenyl)piperazine-2,5-dione
SMILESCc1c(Br)cccc1N1CC(=O)NCC1=O
InChIInChI=1S/C11H11BrN2O2/c1-7-8(12)3-2-4-9(7)14-6-10(15)13-5-11(14)16/h2-4H,5-6H2,1H3,(H,13,15)
InChIKeyOULLQRHTDHNYQV-UHFFFAOYSA-N
MW283.12 g/mol
LogP1.22
Rot. Bonds1

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

1-(3-bromo-2-methylphenyl)piperazine-2,5-dione (PubChem CID 107640130) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 1-(3-bromo-2-methylphenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-bromo-2-methylphenyl)piperazine-2,5-dione
PubChem CID107640130
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name1-(3-bromo-2-methylphenyl)piperazine-2,5-dione
SMILESCc1c(Br)cccc1N1CC(=O)NCC1=O
InChIInChI=1S/C11H11BrN2O2/c1-7-8(12)3-2-4-9(7)14-6-10(15)13-5-11(14)16/h2-4H,5-6H2,1H3,(H,13,15)
InChIKeyOULLQRHTDHNYQV-UHFFFAOYSA-N
XLogP1.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromo-2-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

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylphenyl)piperazine-2,5-dione?
The IUPAC name of 1-(3-bromo-2-methylphenyl)piperazine-2,5-dione (CID 107640130) is 1-(3-bromo-2-methylphenyl)piperazine-2,5-dione.
What is the SMILES notation for 1-(3-bromo-2-methylphenyl)piperazine-2,5-dione?
The canonical SMILES for 1-(3-bromo-2-methylphenyl)piperazine-2,5-dione is Cc1c(Br)cccc1N1CC(=O)NCC1=O.
What is the InChIKey of 1-(3-bromo-2-methylphenyl)piperazine-2,5-dione?
The InChIKey is OULLQRHTDHNYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-7-8(12)3-2-4-9(7)14-6-10(15)13-5-11(14)16/h2-4H,5-6H2,1H3,(H,13,15).
What are the key properties of 1-(3-bromo-2-methylphenyl)piperazine-2,5-dione?
1-(3-bromo-2-methylphenyl)piperazine-2,5-dione has a molecular weight of 283.12 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methylphenyl)piperazine-2,5-dione is sourced from PubChem (CID 107640130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).