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

C11H11BrN2O2 — CID 82758291

IUPAC1-(2-bromo-5-methylphenyl)piperazine-2,5-dione
SMILESCc1ccc(Br)c(N2CC(=O)NCC2=O)c1
InChIInChI=1S/C11H11BrN2O2/c1-7-2-3-8(12)9(4-7)14-6-10(15)13-5-11(14)16/h2-4H,5-6H2,1H3,(H,13,15)
InChIKeyLOFDBJDYXNVBEG-UHFFFAOYSA-N
MW283.12 g/mol
LogP1.22
Rot. Bonds1

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

1-(2-bromo-5-methylphenyl)piperazine-2,5-dione (PubChem CID 82758291) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 1-(2-bromo-5-methylphenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-bromo-5-methylphenyl)piperazine-2,5-dione
PubChem CID82758291
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name1-(2-bromo-5-methylphenyl)piperazine-2,5-dione
SMILESCc1ccc(Br)c(N2CC(=O)NCC2=O)c1
InChIInChI=1S/C11H11BrN2O2/c1-7-2-3-8(12)9(4-7)14-6-10(15)13-5-11(14)16/h2-4H,5-6H2,1H3,(H,13,15)
InChIKeyLOFDBJDYXNVBEG-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

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Related Compounds

1-(2-bromo-5-methylphenyl)-1,4-diazepane-2,5-dione
CID 82759106
1-(3-bromo-2-methylphenyl)piperazine-2,5-dione
CID 107640130
1-(2-bromo-4-methylphenyl)-1,4-diazepane-2,5-dione
CID 64962058
1-(2-bromo-5-methylphenyl)piperidin-2-one
CID 82757768
1-(2-bromo-5-methylphenyl)-6-ethylpiperazine-2,5-dione
CID 82758495
1-(5-bromo-2-methoxyphenyl)piperazine-2,5-dione
CID 64955055
1-(3-aminophenyl)piperazine-2,5-dione
CID 82512416
1-(2-acetylphenyl)piperazine-2,5-dione
CID 84695483
3-bromo-1-(2-bromo-5-methylphenyl)pyrrolidin-2-one
CID 82758582
1-(2-bromo-5-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684750
1-(2-bromo-5-methylphenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670432
3-amino-1-(2-bromo-5-methylphenyl)pyrrolidin-2-one
CID 82756909

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methylphenyl)piperazine-2,5-dione?
The IUPAC name of 1-(2-bromo-5-methylphenyl)piperazine-2,5-dione (CID 82758291) is 1-(2-bromo-5-methylphenyl)piperazine-2,5-dione.
What is the SMILES notation for 1-(2-bromo-5-methylphenyl)piperazine-2,5-dione?
The canonical SMILES for 1-(2-bromo-5-methylphenyl)piperazine-2,5-dione is Cc1ccc(Br)c(N2CC(=O)NCC2=O)c1.
What is the InChIKey of 1-(2-bromo-5-methylphenyl)piperazine-2,5-dione?
The InChIKey is LOFDBJDYXNVBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-7-2-3-8(12)9(4-7)14-6-10(15)13-5-11(14)16/h2-4H,5-6H2,1H3,(H,13,15).
What are the key properties of 1-(2-bromo-5-methylphenyl)piperazine-2,5-dione?
1-(2-bromo-5-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-(2-bromo-5-methylphenyl)piperazine-2,5-dione is sourced from PubChem (CID 82758291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).