1-[(3-bromo-4-methoxyphenyl)methyl]-3-propylpiperazine-2,5-dione

C15H19BrN2O3 — CID 64879602

IUPAC1-[(3-bromo-4-methoxyphenyl)methyl]-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(Cc2ccc(OC)c(Br)c2)C1=O
InChIInChI=1S/C15H19BrN2O3/c1-3-4-12-15(20)18(9-14(19)17-12)8-10-5-6-13(21-2)11(16)7-10/h5-7,12H,3-4,8-9H2,1-2H3,(H,17,19)
InChIKeyLPOZRIXIESRAER-UHFFFAOYSA-N
MW355.23 g/mol
LogP2.08
Rot. Bonds5

About 1-[(3-bromo-4-methoxyphenyl)methyl]-3-propylpiperazine-2,5-dione

1-[(3-bromo-4-methoxyphenyl)methyl]-3-propylpiperazine-2,5-dione (PubChem CID 64879602) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 1-[(3-bromo-4-methoxyphenyl)methyl]-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(3-bromo-4-methoxyphenyl)methyl]-3-propylpiperazine-2,5-dione
PubChem CID64879602
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name1-[(3-bromo-4-methoxyphenyl)methyl]-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(Cc2ccc(OC)c(Br)c2)C1=O
InChIInChI=1S/C15H19BrN2O3/c1-3-4-12-15(20)18(9-14(19)17-12)8-10-5-6-13(21-2)11(16)7-10/h5-7,12H,3-4,8-9H2,1-2H3,(H,17,19)
InChIKeyLPOZRIXIESRAER-UHFFFAOYSA-N
XLogP2.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-bromo-4-methoxyphenyl)methyl]-5-propylimidazolidine-2,4-dione
CID 60673988
1-[(2-methoxyphenyl)methyl]-3-propylpiperazine-2,5-dione
CID 64878854
1-[(3-bromo-4-methoxyphenyl)methyl]piperazine-2,5-dione
CID 64872857
1-[(3-bromo-4-methoxyphenyl)methyl]-3-propylpyrrolidine
CID 112695958
1-[(3-bromo-4-methoxyphenyl)methyl]-5,5-dimethylazepan-2-one
CID 65284291
1-[(3-bromo-4-methoxyphenyl)methyl]-4-tert-butylpyrrolidin-2-one
CID 104512466
1-[(4-chlorophenyl)methyl]-3-ethylpiperazine-2,5-dione
CID 64879991
1-benzyl-3-(2-methoxyethyl)piperazine-2,5-dione
CID 20794518
1-[(2,6-difluorophenyl)methyl]-3-propylpiperazine-2,5-dione
CID 114934698
1-(3,5-dimethoxyphenyl)-3-propylpiperazine-2,5-dione
CID 64956816
1-[(3-bromo-4-methoxyphenyl)methyl]-3,4-dihydro-2H-pyrrol-4-ylium-5-one
CID 123586033
1-[(3-bromo-4-methoxyphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione
CID 64873863

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-4-methoxyphenyl)methyl]-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-[(3-bromo-4-methoxyphenyl)methyl]-3-propylpiperazine-2,5-dione (CID 64879602) is 1-[(3-bromo-4-methoxyphenyl)methyl]-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(3-bromo-4-methoxyphenyl)methyl]-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-[(3-bromo-4-methoxyphenyl)methyl]-3-propylpiperazine-2,5-dione is CCCC1NC(=O)CN(Cc2ccc(OC)c(Br)c2)C1=O.
What is the InChIKey of 1-[(3-bromo-4-methoxyphenyl)methyl]-3-propylpiperazine-2,5-dione?
The InChIKey is LPOZRIXIESRAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-3-4-12-15(20)18(9-14(19)17-12)8-10-5-6-13(21-2)11(16)7-10/h5-7,12H,3-4,8-9H2,1-2H3,(H,17,19).
What are the key properties of 1-[(3-bromo-4-methoxyphenyl)methyl]-3-propylpiperazine-2,5-dione?
1-[(3-bromo-4-methoxyphenyl)methyl]-3-propylpiperazine-2,5-dione has a molecular weight of 355.23 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-4-methoxyphenyl)methyl]-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64879602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).