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

C11H11BrN2O3 — CID 64955055

IUPAC1-(5-bromo-2-methoxyphenyl)piperazine-2,5-dione
SMILESCOc1ccc(Br)cc1N1CC(=O)NCC1=O
InChIInChI=1S/C11H11BrN2O3/c1-17-9-3-2-7(12)4-8(9)14-6-10(15)13-5-11(14)16/h2-4H,5-6H2,1H3,(H,13,15)
InChIKeyZCLPYWQGCAKARJ-UHFFFAOYSA-N
MW299.12 g/mol
LogP0.92
Rot. Bonds2

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

1-(5-bromo-2-methoxyphenyl)piperazine-2,5-dione (PubChem CID 64955055) has the molecular formula C11H11BrN2O3 and a molecular weight of 299.12 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)piperazine-2,5-dione
PubChem CID64955055
Molecular FormulaC11H11BrN2O3
Molecular Weight299.12 g/mol
Exact Mass298.00
IUPAC Name1-(5-bromo-2-methoxyphenyl)piperazine-2,5-dione
SMILESCOc1ccc(Br)cc1N1CC(=O)NCC1=O
InChIInChI=1S/C11H11BrN2O3/c1-17-9-3-2-7(12)4-8(9)14-6-10(15)13-5-11(14)16/h2-4H,5-6H2,1H3,(H,13,15)
InChIKeyZCLPYWQGCAKARJ-UHFFFAOYSA-N
XLogP0.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.12
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-3-ethylpiperazine-2,5-dione
CID 64966626
1-(5-bromo-2-methoxyphenyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64966541
1-(5-bromo-2-methoxyphenyl)piperidine-2,6-dione
CID 54967272
1-(2-bromo-5-methylphenyl)piperazine-2,5-dione
CID 82758291
methyl 1-(5-bromo-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693461
1-(2,5-dimethoxyphenyl)imidazolidine-2,4-dione
CID 4770213
1-(5-bromo-2-methoxyphenyl)imidazolidine-2,4,5-trione
CID 54967851
1-[(3-bromo-4-methoxyphenyl)methyl]piperazine-2,5-dione
CID 64872857
(1R,2S,6S,7R)-4-(5-bromo-2-methoxyphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 124538111
1-(3-aminophenyl)piperazine-2,5-dione
CID 82512416
1-(2-acetylphenyl)piperazine-2,5-dione
CID 84695483
7-bromo-1-(3-methoxyphenyl)-3,4-dihydroquinoxalin-2-one
CID 117006327

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)piperazine-2,5-dione?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)piperazine-2,5-dione (CID 64955055) is 1-(5-bromo-2-methoxyphenyl)piperazine-2,5-dione.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)piperazine-2,5-dione?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)piperazine-2,5-dione is COc1ccc(Br)cc1N1CC(=O)NCC1=O.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)piperazine-2,5-dione?
The InChIKey is ZCLPYWQGCAKARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O3/c1-17-9-3-2-7(12)4-8(9)14-6-10(15)13-5-11(14)16/h2-4H,5-6H2,1H3,(H,13,15).
What are the key properties of 1-(5-bromo-2-methoxyphenyl)piperazine-2,5-dione?
1-(5-bromo-2-methoxyphenyl)piperazine-2,5-dione has a molecular weight of 299.12 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)piperazine-2,5-dione is sourced from PubChem (CID 64955055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).