1-(3-bromo-5-methoxyphenyl)-3-cyclopropylpiperazine-2,5-dione

C14H15BrN2O3 — CID 82859322

IUPAC1-(3-bromo-5-methoxyphenyl)-3-cyclopropylpiperazine-2,5-dione
SMILESCOc1cc(Br)cc(N2CC(=O)NC(C3CC3)C2=O)c1
InChIInChI=1S/C14H15BrN2O3/c1-20-11-5-9(15)4-10(6-11)17-7-12(18)16-13(14(17)19)8-2-3-8/h4-6,8,13H,2-3,7H2,1H3,(H,16,18)
InChIKeyQPMYLUNNHSRWHG-UHFFFAOYSA-N
MW339.19 g/mol
LogP1.70
Rot. Bonds3

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

1-(3-bromo-5-methoxyphenyl)-3-cyclopropylpiperazine-2,5-dione (PubChem CID 82859322) has the molecular formula C14H15BrN2O3 and a molecular weight of 339.19 g/mol. Its IUPAC name is 1-(3-bromo-5-methoxyphenyl)-3-cyclopropylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-bromo-5-methoxyphenyl)-3-cyclopropylpiperazine-2,5-dione
PubChem CID82859322
Molecular FormulaC14H15BrN2O3
Molecular Weight339.19 g/mol
Exact Mass338.03
IUPAC Name1-(3-bromo-5-methoxyphenyl)-3-cyclopropylpiperazine-2,5-dione
SMILESCOc1cc(Br)cc(N2CC(=O)NC(C3CC3)C2=O)c1
InChIInChI=1S/C14H15BrN2O3/c1-20-11-5-9(15)4-10(6-11)17-7-12(18)16-13(14(17)19)8-2-3-8/h4-6,8,13H,2-3,7H2,1H3,(H,16,18)
InChIKeyQPMYLUNNHSRWHG-UHFFFAOYSA-N
XLogP1.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 51.70
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-cyclopropylpiperazine-2,5-dione?
The IUPAC name of 1-(3-bromo-5-methoxyphenyl)-3-cyclopropylpiperazine-2,5-dione (CID 82859322) is 1-(3-bromo-5-methoxyphenyl)-3-cyclopropylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3-bromo-5-methoxyphenyl)-3-cyclopropylpiperazine-2,5-dione?
The canonical SMILES for 1-(3-bromo-5-methoxyphenyl)-3-cyclopropylpiperazine-2,5-dione is COc1cc(Br)cc(N2CC(=O)NC(C3CC3)C2=O)c1.
What is the InChIKey of 1-(3-bromo-5-methoxyphenyl)-3-cyclopropylpiperazine-2,5-dione?
The InChIKey is QPMYLUNNHSRWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3/c1-20-11-5-9(15)4-10(6-11)17-7-12(18)16-13(14(17)19)8-2-3-8/h4-6,8,13H,2-3,7H2,1H3,(H,16,18).
What are the key properties of 1-(3-bromo-5-methoxyphenyl)-3-cyclopropylpiperazine-2,5-dione?
1-(3-bromo-5-methoxyphenyl)-3-cyclopropylpiperazine-2,5-dione has a molecular weight of 339.19 g/mol, XLogP of 1.70, 3 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-cyclopropylpiperazine-2,5-dione is sourced from PubChem (CID 82859322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).