1-(4-bromo-2-methylphenyl)piperazine-2,3-dione

C11H11BrN2O2 — CID 117026260

IUPAC1-(4-bromo-2-methylphenyl)piperazine-2,3-dione
SMILESCc1cc(Br)ccc1N1CCNC(=O)C1=O
InChIInChI=1S/C11H11BrN2O2/c1-7-6-8(12)2-3-9(7)14-5-4-13-10(15)11(14)16/h2-3,6H,4-5H2,1H3,(H,13,15)
InChIKeyMVXOTMPBHJFJON-UHFFFAOYSA-N
MW283.12 g/mol
LogP1.22
Rot. Bonds1

About 1-(4-bromo-2-methylphenyl)piperazine-2,3-dione

1-(4-bromo-2-methylphenyl)piperazine-2,3-dione (PubChem CID 117026260) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)piperazine-2,3-dione.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)piperazine-2,3-dione
PubChem CID117026260
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name1-(4-bromo-2-methylphenyl)piperazine-2,3-dione
SMILESCc1cc(Br)ccc1N1CCNC(=O)C1=O
InChIInChI=1S/C11H11BrN2O2/c1-7-6-8(12)2-3-9(7)14-5-4-13-10(15)11(14)16/h2-3,6H,4-5H2,1H3,(H,13,15)
InChIKeyMVXOTMPBHJFJON-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

Computed Properties (RDKit)

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

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Related Compounds

4-(4-bromo-2-methylphenyl)-2,3-dihydro-1H-quinoxaline
CID 117006770
5-(4-bromo-2-methylphenyl)-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 117015822
7-bromo-4-(2,5-dimethylphenyl)-2,3-dihydro-1H-quinoxaline
CID 117006931
4-(4-bromo-2-methylphenyl)-2,2,6,6-tetramethyl-1,4-diazepan-5-one
CID 117023634
1-(4-methoxy-2-methylphenyl)imidazolidin-2-one
CID 115370632
1-(4-bromo-2-methylphenyl)-3-ethyl-1,4-diazepane-2,5-dione
CID 64962609
1-(4-bromo-2-methylphenyl)-3,3,6,6-tetramethyl-1,4-diazepan-2-one
CID 84612050
1-(4-bromo-2-methylphenyl)piperidine
CID 66800775
1-(2-methyl-4-nitrophenyl)imidazolidin-2-one
CID 115370555
2-(4-bromo-2-methylphenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one
CID 67478832
2-(2,3-dioxopiperazin-1-yl)benzonitrile
CID 117306341
4-(4-bromo-2-methylphenyl)-1-methylpiperazin-2-one
CID 117005223

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)piperazine-2,3-dione?
The IUPAC name of 1-(4-bromo-2-methylphenyl)piperazine-2,3-dione (CID 117026260) is 1-(4-bromo-2-methylphenyl)piperazine-2,3-dione.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)piperazine-2,3-dione?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)piperazine-2,3-dione is Cc1cc(Br)ccc1N1CCNC(=O)C1=O.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)piperazine-2,3-dione?
The InChIKey is MVXOTMPBHJFJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-7-6-8(12)2-3-9(7)14-5-4-13-10(15)11(14)16/h2-3,6H,4-5H2,1H3,(H,13,15).
What are the key properties of 1-(4-bromo-2-methylphenyl)piperazine-2,3-dione?
1-(4-bromo-2-methylphenyl)piperazine-2,3-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-(4-bromo-2-methylphenyl)piperazine-2,3-dione is sourced from PubChem (CID 117026260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).