1-[(2-bromophenyl)methyl]-4-phenylpiperazine-2,3-dione

C17H15BrN2O2 — CID 10808383

IUPAC1-[(2-bromophenyl)methyl]-4-phenylpiperazine-2,3-dione
SMILESO=C1C(=O)N(c2ccccc2)CCN1Cc1ccccc1Br
InChIInChI=1S/C17H15BrN2O2/c18-15-9-5-4-6-13(15)12-19-10-11-20(17(22)16(19)21)14-7-2-1-3-8-14/h1-9H,10-12H2
InChIKeyAQVGVFOVOWWSSR-UHFFFAOYSA-N
MW359.22 g/mol
LogP2.82
Rot. Bonds3

About 1-[(2-bromophenyl)methyl]-4-phenylpiperazine-2,3-dione

1-[(2-bromophenyl)methyl]-4-phenylpiperazine-2,3-dione (PubChem CID 10808383) has the molecular formula C17H15BrN2O2 and a molecular weight of 359.22 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-4-phenylpiperazine-2,3-dione.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-4-phenylpiperazine-2,3-dione
PubChem CID10808383
Molecular FormulaC17H15BrN2O2
Molecular Weight359.22 g/mol
Exact Mass358.03
IUPAC Name1-[(2-bromophenyl)methyl]-4-phenylpiperazine-2,3-dione
SMILESO=C1C(=O)N(c2ccccc2)CCN1Cc1ccccc1Br
InChIInChI=1S/C17H15BrN2O2/c18-15-9-5-4-6-13(15)12-19-10-11-20(17(22)16(19)21)14-7-2-1-3-8-14/h1-9H,10-12H2
InChIKeyAQVGVFOVOWWSSR-UHFFFAOYSA-N
XLogP2.82
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-[(2-bromophenyl)methyl]-4-phenylpiperazine-2,3-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-[(2-bromophenyl)methyl]-4-phenylpiperazine-2,3-dione?
The IUPAC name of 1-[(2-bromophenyl)methyl]-4-phenylpiperazine-2,3-dione (CID 10808383) is 1-[(2-bromophenyl)methyl]-4-phenylpiperazine-2,3-dione.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-4-phenylpiperazine-2,3-dione?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-4-phenylpiperazine-2,3-dione is O=C1C(=O)N(c2ccccc2)CCN1Cc1ccccc1Br.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-4-phenylpiperazine-2,3-dione?
The InChIKey is AQVGVFOVOWWSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O2/c18-15-9-5-4-6-13(15)12-19-10-11-20(17(22)16(19)21)14-7-2-1-3-8-14/h1-9H,10-12H2.
What are the key properties of 1-[(2-bromophenyl)methyl]-4-phenylpiperazine-2,3-dione?
1-[(2-bromophenyl)methyl]-4-phenylpiperazine-2,3-dione has a molecular weight of 359.22 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-4-phenylpiperazine-2,3-dione is sourced from PubChem (CID 10808383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).