3-(2-bromophenyl)-1,4-dimethylpiperazine-2,5-dione

C12H13BrN2O2 — CID 121207871

IUPAC3-(2-bromophenyl)-1,4-dimethylpiperazine-2,5-dione
SMILESCN1CC(=O)N(C)C(c2ccccc2Br)C1=O
InChIInChI=1S/C12H13BrN2O2/c1-14-7-10(16)15(2)11(12(14)17)8-5-3-4-6-9(8)13/h3-6,11H,7H2,1-2H3
InChIKeyGKJHPNFVYDLORT-UHFFFAOYSA-N
MW297.15 g/mol
LogP1.42
Rot. Bonds1

About 3-(2-bromophenyl)-1,4-dimethylpiperazine-2,5-dione

3-(2-bromophenyl)-1,4-dimethylpiperazine-2,5-dione (PubChem CID 121207871) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is 3-(2-bromophenyl)-1,4-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-(2-bromophenyl)-1,4-dimethylpiperazine-2,5-dione
PubChem CID121207871
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name3-(2-bromophenyl)-1,4-dimethylpiperazine-2,5-dione
SMILESCN1CC(=O)N(C)C(c2ccccc2Br)C1=O
InChIInChI=1S/C12H13BrN2O2/c1-14-7-10(16)15(2)11(12(14)17)8-5-3-4-6-9(8)13/h3-6,11H,7H2,1-2H3
InChIKeyGKJHPNFVYDLORT-UHFFFAOYSA-N
XLogP1.42
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(2-bromophenyl)-1,4-dimethylpiperazine-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-(2-bromophenyl)-1,4-dimethylpiperazine-2,5-dione?
The IUPAC name of 3-(2-bromophenyl)-1,4-dimethylpiperazine-2,5-dione (CID 121207871) is 3-(2-bromophenyl)-1,4-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 3-(2-bromophenyl)-1,4-dimethylpiperazine-2,5-dione?
The canonical SMILES for 3-(2-bromophenyl)-1,4-dimethylpiperazine-2,5-dione is CN1CC(=O)N(C)C(c2ccccc2Br)C1=O.
What is the InChIKey of 3-(2-bromophenyl)-1,4-dimethylpiperazine-2,5-dione?
The InChIKey is GKJHPNFVYDLORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c1-14-7-10(16)15(2)11(12(14)17)8-5-3-4-6-9(8)13/h3-6,11H,7H2,1-2H3.
What are the key properties of 3-(2-bromophenyl)-1,4-dimethylpiperazine-2,5-dione?
3-(2-bromophenyl)-1,4-dimethylpiperazine-2,5-dione has a molecular weight of 297.15 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-1,4-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 121207871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).