1-(3-bromo-4-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione

C15H19BrN2O2 — CID 64970831

IUPAC1-(3-bromo-4-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCc1ccc(N2CC(=O)NC(CC(C)C)C2=O)cc1Br
InChIInChI=1S/C15H19BrN2O2/c1-9(2)6-13-15(20)18(8-14(19)17-13)11-5-4-10(3)12(16)7-11/h4-5,7,9,13H,6,8H2,1-3H3,(H,17,19)
InChIKeyOOZJPSWXMNOZJJ-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.64
Rot. Bonds3

About 1-(3-bromo-4-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione

1-(3-bromo-4-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 64970831) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione
PubChem CID64970831
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name1-(3-bromo-4-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCc1ccc(N2CC(=O)NC(CC(C)C)C2=O)cc1Br
InChIInChI=1S/C15H19BrN2O2/c1-9(2)6-13-15(20)18(8-14(19)17-13)11-5-4-10(3)12(16)7-11/h4-5,7,9,13H,6,8H2,1-3H3,(H,17,19)
InChIKeyOOZJPSWXMNOZJJ-UHFFFAOYSA-N
XLogP2.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64962057
1-(3-fluorophenyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64956077
1-(3-bromo-5-methoxyphenyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 82860332
1-(5-bromo-2,4-difluorophenyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 102855290
1-(2,5-difluoro-4-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 103587706
1-(4-bromo-3-methylphenyl)-3-propylpiperazine-2,5-dione
CID 64962234
1-(5-bromo-2-methoxyphenyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64966541
3-(2-methylpropyl)-1-(2,4,5-trichlorophenyl)piperazine-2,5-dione
CID 64962082
3-ethyl-1-(3-fluoro-4-methylphenyl)piperazine-2,5-dione
CID 64958384
1-(4-bromo-3-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64962128
1-(3-fluoro-2-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64967241
1-(3-bromo-4-methylphenyl)-3-propan-2-yl-1,4-diazepane-2,5-dione
CID 64970829

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione (CID 64970831) is 1-(3-bromo-4-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione is Cc1ccc(N2CC(=O)NC(CC(C)C)C2=O)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is OOZJPSWXMNOZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-9(2)6-13-15(20)18(8-14(19)17-13)11-5-4-10(3)12(16)7-11/h4-5,7,9,13H,6,8H2,1-3H3,(H,17,19).
What are the key properties of 1-(3-bromo-4-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione?
1-(3-bromo-4-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 339.23 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 64970831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).