N-(2,5-dibromophenyl)-2-oxo-2-piperazin-1-ylacetamide

C12H13Br2N3O2 — CID 61468238

IUPACN-(2,5-dibromophenyl)-2-oxo-2-piperazin-1-ylacetamide
SMILESO=C(Nc1cc(Br)ccc1Br)C(=O)N1CCNCC1
InChIInChI=1S/C12H13Br2N3O2/c13-8-1-2-9(14)10(7-8)16-11(18)12(19)17-5-3-15-4-6-17/h1-2,7,15H,3-6H2,(H,16,18)
InChIKeyUBKMWBHOZSLEQA-UHFFFAOYSA-N
MW391.06 g/mol
LogP1.58
Rot. Bonds1

About N-(2,5-dibromophenyl)-2-oxo-2-piperazin-1-ylacetamide

N-(2,5-dibromophenyl)-2-oxo-2-piperazin-1-ylacetamide (PubChem CID 61468238) has the molecular formula C12H13Br2N3O2 and a molecular weight of 391.06 g/mol. Its IUPAC name is N-(2,5-dibromophenyl)-2-oxo-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-(2,5-dibromophenyl)-2-oxo-2-piperazin-1-ylacetamide
PubChem CID61468238
Molecular FormulaC12H13Br2N3O2
Molecular Weight391.06 g/mol
Exact Mass388.94
IUPAC NameN-(2,5-dibromophenyl)-2-oxo-2-piperazin-1-ylacetamide
SMILESO=C(Nc1cc(Br)ccc1Br)C(=O)N1CCNCC1
InChIInChI=1S/C12H13Br2N3O2/c13-8-1-2-9(14)10(7-8)16-11(18)12(19)17-5-3-15-4-6-17/h1-2,7,15H,3-6H2,(H,16,18)
InChIKeyUBKMWBHOZSLEQA-UHFFFAOYSA-N
XLogP1.58
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.06
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2,5-dibromophenyl)-2-oxo-2-piperazin-1-ylacetamide 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

N-(4-bromo-3-chlorophenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 107614812
N-(2,4-dimethylphenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 28507375
N-(2,5-dichloro-4-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 104727779
N-(4-bromo-2-fluorophenyl)piperazine-1-carboxamide
CID 171854873
N-(4-chlorophenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 28507441
N-(5-chloro-2-methoxyphenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 28507464
N-(2,3-dichloro-4-pyridinyl)-2-oxo-2-piperazin-1-ylacetamide
CID 87690825
2-(1,4-diazepan-1-yl)-N-(2-fluorophenyl)-2-oxoacetamide
CID 43327583
N-(5-bromo-2-chlorophenyl)-2-piperazin-1-ylacetamide
CID 62908578
N-(2-bromo-6-chloro-4-fluorophenyl)-2-(1,4-diazepan-1-yl)-2-oxoacetamide
CID 107614809
2-(1,4-diazepan-1-yl)-N-(2,3-dimethylphenyl)-2-oxoacetamide
CID 43327572
N-(3,5-dichloro-4-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 23555753

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dibromophenyl)-2-oxo-2-piperazin-1-ylacetamide?
The IUPAC name of N-(2,5-dibromophenyl)-2-oxo-2-piperazin-1-ylacetamide (CID 61468238) is N-(2,5-dibromophenyl)-2-oxo-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-(2,5-dibromophenyl)-2-oxo-2-piperazin-1-ylacetamide?
The canonical SMILES for N-(2,5-dibromophenyl)-2-oxo-2-piperazin-1-ylacetamide is O=C(Nc1cc(Br)ccc1Br)C(=O)N1CCNCC1.
What is the InChIKey of N-(2,5-dibromophenyl)-2-oxo-2-piperazin-1-ylacetamide?
The InChIKey is UBKMWBHOZSLEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2N3O2/c13-8-1-2-9(14)10(7-8)16-11(18)12(19)17-5-3-15-4-6-17/h1-2,7,15H,3-6H2,(H,16,18).
What are the key properties of N-(2,5-dibromophenyl)-2-oxo-2-piperazin-1-ylacetamide?
N-(2,5-dibromophenyl)-2-oxo-2-piperazin-1-ylacetamide has a molecular weight of 391.06 g/mol, XLogP of 1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dibromophenyl)-2-oxo-2-piperazin-1-ylacetamide is sourced from PubChem (CID 61468238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).