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

C15H17BrN2O3 — CID 65331613

IUPAC1-[(2-bromo-5-methoxyphenyl)methyl]-3-cyclopropylpiperazine-2,5-dione
SMILESCOc1ccc(Br)c(CN2CC(=O)NC(C3CC3)C2=O)c1
InChIInChI=1S/C15H17BrN2O3/c1-21-11-4-5-12(16)10(6-11)7-18-8-13(19)17-14(15(18)20)9-2-3-9/h4-6,9,14H,2-3,7-8H2,1H3,(H,17,19)
InChIKeyJPGKLYQFASOLSO-UHFFFAOYSA-N
MW353.22 g/mol
LogP1.69
Rot. Bonds4

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

1-[(2-bromo-5-methoxyphenyl)methyl]-3-cyclopropylpiperazine-2,5-dione (PubChem CID 65331613) has the molecular formula C15H17BrN2O3 and a molecular weight of 353.22 g/mol. Its IUPAC name is 1-[(2-bromo-5-methoxyphenyl)methyl]-3-cyclopropylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(2-bromo-5-methoxyphenyl)methyl]-3-cyclopropylpiperazine-2,5-dione
PubChem CID65331613
Molecular FormulaC15H17BrN2O3
Molecular Weight353.22 g/mol
Exact Mass352.04
IUPAC Name1-[(2-bromo-5-methoxyphenyl)methyl]-3-cyclopropylpiperazine-2,5-dione
SMILESCOc1ccc(Br)c(CN2CC(=O)NC(C3CC3)C2=O)c1
InChIInChI=1S/C15H17BrN2O3/c1-21-11-4-5-12(16)10(6-11)7-18-8-13(19)17-14(15(18)20)9-2-3-9/h4-6,9,14H,2-3,7-8H2,1H3,(H,17,19)
InChIKeyJPGKLYQFASOLSO-UHFFFAOYSA-N
XLogP1.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-bromo-5-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 65326183
1-[(2-bromophenyl)methyl]-3-cyclopropylpiperazine-2,5-dione
CID 64879430
3-cyclopropyl-1-[(3-methoxyphenyl)methyl]piperazine-2,5-dione
CID 64879252
3-cyclopropyl-1-[(2-ethylphenyl)methyl]piperazine-2,5-dione
CID 64973621
1-[(2-bromo-5-methoxyphenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79180750
1-(3-bromo-5-methoxyphenyl)-3-cyclopropylpiperazine-2,5-dione
CID 82859322
(4aR,8aR)-1-[(2-bromo-5-methoxyphenyl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727810
1-[(2-fluoro-4-methoxyphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 102879788
4-[(2-bromo-5-methoxyphenyl)methyl]-3-ethylpiperazine-2,6-dione
CID 66067035
1-[(2-bromo-5-methoxyphenyl)methyl]-4-propylpyrrolidin-2-one
CID 104512444
1-[(2-bromo-5-methoxyphenyl)methyl]-5-propylazepan-2-one
CID 65326420
1-[(2-bromo-5-methoxyphenyl)methyl]-2-cyclopropyl-5,5-dimethylpiperazine
CID 65331384

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-5-methoxyphenyl)methyl]-3-cyclopropylpiperazine-2,5-dione?
The IUPAC name of 1-[(2-bromo-5-methoxyphenyl)methyl]-3-cyclopropylpiperazine-2,5-dione (CID 65331613) is 1-[(2-bromo-5-methoxyphenyl)methyl]-3-cyclopropylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(2-bromo-5-methoxyphenyl)methyl]-3-cyclopropylpiperazine-2,5-dione?
The canonical SMILES for 1-[(2-bromo-5-methoxyphenyl)methyl]-3-cyclopropylpiperazine-2,5-dione is COc1ccc(Br)c(CN2CC(=O)NC(C3CC3)C2=O)c1.
What is the InChIKey of 1-[(2-bromo-5-methoxyphenyl)methyl]-3-cyclopropylpiperazine-2,5-dione?
The InChIKey is JPGKLYQFASOLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O3/c1-21-11-4-5-12(16)10(6-11)7-18-8-13(19)17-14(15(18)20)9-2-3-9/h4-6,9,14H,2-3,7-8H2,1H3,(H,17,19).
What are the key properties of 1-[(2-bromo-5-methoxyphenyl)methyl]-3-cyclopropylpiperazine-2,5-dione?
1-[(2-bromo-5-methoxyphenyl)methyl]-3-cyclopropylpiperazine-2,5-dione has a molecular weight of 353.22 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-5-methoxyphenyl)methyl]-3-cyclopropylpiperazine-2,5-dione is sourced from PubChem (CID 65331613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).