1-(3-bromo-5-methoxyphenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione

C15H19BrN2O3 — CID 82860800

IUPAC1-(3-bromo-5-methoxyphenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C)N(c2cc(Br)cc(OC)c2)C1=O
InChIInChI=1S/C15H19BrN2O3/c1-5-15(3)14(20)18(9(2)13(19)17-15)11-6-10(16)7-12(8-11)21-4/h6-9H,5H2,1-4H3,(H,17,19)
InChIKeyPPIYHLYFUBKQEZ-UHFFFAOYSA-N
MW355.23 g/mol
LogP2.48
Rot. Bonds3

About 1-(3-bromo-5-methoxyphenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione

1-(3-bromo-5-methoxyphenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione (PubChem CID 82860800) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 1-(3-bromo-5-methoxyphenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-bromo-5-methoxyphenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
PubChem CID82860800
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name1-(3-bromo-5-methoxyphenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C)N(c2cc(Br)cc(OC)c2)C1=O
InChIInChI=1S/C15H19BrN2O3/c1-5-15(3)14(20)18(9(2)13(19)17-15)11-6-10(16)7-12(8-11)21-4/h6-9H,5H2,1-4H3,(H,17,19)
InChIKeyPPIYHLYFUBKQEZ-UHFFFAOYSA-N
XLogP2.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-5-methoxyphenyl)-3,3,6-trimethylpiperazine-2,5-dione
CID 82858572
1-(4-bromo-2-fluorophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64962263
3-ethyl-1-(3-fluorophenyl)-3,6-dimethylpiperazine-2,5-dione
CID 64955381
1-(3,5-dichloro-4-fluorophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 107580227
1-(2-bromophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64962329
3-ethyl-3,6-dimethyl-1-(4-methylsulfanylphenyl)piperazine-2,5-dione
CID 64962248
1-(2-bromo-5-fluorophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 107640312
3-ethyl-3,6-dimethyl-1-pyridin-3-ylpiperazine-2,5-dione
CID 64956245
1-(4-bromo-2,5-difluorophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 107608176
3-ethyl-3,6-dimethyl-1-(2,4,5-trichlorophenyl)piperazine-2,5-dione
CID 64962096
1-(3-bromo-5-methoxyphenyl)-3,6-diethylpiperazine-2,5-dione
CID 82859302
3-ethyl-1-(4-fluoro-2-iodophenyl)-3,6-dimethylpiperazine-2,5-dione
CID 79771236

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methoxyphenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione?
The IUPAC name of 1-(3-bromo-5-methoxyphenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione (CID 82860800) is 1-(3-bromo-5-methoxyphenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3-bromo-5-methoxyphenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione?
The canonical SMILES for 1-(3-bromo-5-methoxyphenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione is CCC1(C)NC(=O)C(C)N(c2cc(Br)cc(OC)c2)C1=O.
What is the InChIKey of 1-(3-bromo-5-methoxyphenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione?
The InChIKey is PPIYHLYFUBKQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-5-15(3)14(20)18(9(2)13(19)17-15)11-6-10(16)7-12(8-11)21-4/h6-9H,5H2,1-4H3,(H,17,19).
What are the key properties of 1-(3-bromo-5-methoxyphenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione?
1-(3-bromo-5-methoxyphenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione has a molecular weight of 355.23 g/mol, XLogP of 2.48, 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-ethyl-3,6-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 82860800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).