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

C15H19BrN2O3 — CID 82860332

IUPAC1-(3-bromo-5-methoxyphenyl)-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCOc1cc(Br)cc(N2CC(=O)NC(CC(C)C)C2=O)c1
InChIInChI=1S/C15H19BrN2O3/c1-9(2)4-13-15(20)18(8-14(19)17-13)11-5-10(16)6-12(7-11)21-3/h5-7,9,13H,4,8H2,1-3H3,(H,17,19)
InChIKeyLXPVJTRXEHYKOF-UHFFFAOYSA-N
MW355.23 g/mol
LogP2.34
Rot. Bonds4

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

1-(3-bromo-5-methoxyphenyl)-3-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 82860332) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 1-(3-bromo-5-methoxyphenyl)-3-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-bromo-5-methoxyphenyl)-3-(2-methylpropyl)piperazine-2,5-dione
PubChem CID82860332
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name1-(3-bromo-5-methoxyphenyl)-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCOc1cc(Br)cc(N2CC(=O)NC(CC(C)C)C2=O)c1
InChIInChI=1S/C15H19BrN2O3/c1-9(2)4-13-15(20)18(8-14(19)17-13)11-5-10(16)6-12(7-11)21-3/h5-7,9,13H,4,8H2,1-3H3,(H,17,19)
InChIKeyLXPVJTRXEHYKOF-UHFFFAOYSA-N
XLogP2.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methoxyphenyl)-3-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 1-(3-bromo-5-methoxyphenyl)-3-(2-methylpropyl)piperazine-2,5-dione (CID 82860332) is 1-(3-bromo-5-methoxyphenyl)-3-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 1-(3-bromo-5-methoxyphenyl)-3-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 1-(3-bromo-5-methoxyphenyl)-3-(2-methylpropyl)piperazine-2,5-dione is COc1cc(Br)cc(N2CC(=O)NC(CC(C)C)C2=O)c1.
What is the InChIKey of 1-(3-bromo-5-methoxyphenyl)-3-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is LXPVJTRXEHYKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-9(2)4-13-15(20)18(8-14(19)17-13)11-5-10(16)6-12(7-11)21-3/h5-7,9,13H,4,8H2,1-3H3,(H,17,19).
What are the key properties of 1-(3-bromo-5-methoxyphenyl)-3-(2-methylpropyl)piperazine-2,5-dione?
1-(3-bromo-5-methoxyphenyl)-3-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 355.23 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methoxyphenyl)-3-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 82860332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).