1-[(2-bromo-5-methoxyphenyl)methyl]-6-ethylpiperazine-2,5-dione

C14H17BrN2O3 — CID 65331442

IUPAC1-[(2-bromo-5-methoxyphenyl)methyl]-6-ethylpiperazine-2,5-dione
SMILESCCC1C(=O)NCC(=O)N1Cc1cc(OC)ccc1Br
InChIInChI=1S/C14H17BrN2O3/c1-3-12-14(19)16-7-13(18)17(12)8-9-6-10(20-2)4-5-11(9)15/h4-6,12H,3,7-8H2,1-2H3,(H,16,19)
InChIKeyPSKQMULHBVQJQM-UHFFFAOYSA-N
MW341.21 g/mol
LogP1.69
Rot. Bonds4

About 1-[(2-bromo-5-methoxyphenyl)methyl]-6-ethylpiperazine-2,5-dione

1-[(2-bromo-5-methoxyphenyl)methyl]-6-ethylpiperazine-2,5-dione (PubChem CID 65331442) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is 1-[(2-bromo-5-methoxyphenyl)methyl]-6-ethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(2-bromo-5-methoxyphenyl)methyl]-6-ethylpiperazine-2,5-dione
PubChem CID65331442
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC Name1-[(2-bromo-5-methoxyphenyl)methyl]-6-ethylpiperazine-2,5-dione
SMILESCCC1C(=O)NCC(=O)N1Cc1cc(OC)ccc1Br
InChIInChI=1S/C14H17BrN2O3/c1-3-12-14(19)16-7-13(18)17(12)8-9-6-10(20-2)4-5-11(9)15/h4-6,12H,3,7-8H2,1-2H3,(H,16,19)
InChIKeyPSKQMULHBVQJQM-UHFFFAOYSA-N
XLogP1.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,4-dimethoxyphenyl)methyl]-6-ethylpiperazine-2,5-dione
CID 64971367
4-[(2-bromo-5-methoxyphenyl)methyl]-3-ethylpiperazine-2,6-dione
CID 66067035
6-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]piperazine-2,5-dione
CID 64879658
1-(4-bromo-3-methylphenyl)-6-ethylpiperazine-2,5-dione
CID 64962294
1-[(2-bromo-5-methoxyphenyl)methyl]-4-propylpyrrolidin-2-one
CID 104512444
1-[(2-bromo-5-methoxyphenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79180750
1-[(2-bromo-5-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 65326183
4-(2-bromo-5-methoxybenzoyl)-3-ethylpiperazin-2-one
CID 63601017
3-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-one
CID 104679407
4-[(2-bromo-5-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline
CID 115318561
1-[(2-bromo-5-methoxyphenyl)methyl]-5-propylazepan-2-one
CID 65326420
1-[(2-bromo-5-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 65327229

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-5-methoxyphenyl)methyl]-6-ethylpiperazine-2,5-dione?
The IUPAC name of 1-[(2-bromo-5-methoxyphenyl)methyl]-6-ethylpiperazine-2,5-dione (CID 65331442) is 1-[(2-bromo-5-methoxyphenyl)methyl]-6-ethylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(2-bromo-5-methoxyphenyl)methyl]-6-ethylpiperazine-2,5-dione?
The canonical SMILES for 1-[(2-bromo-5-methoxyphenyl)methyl]-6-ethylpiperazine-2,5-dione is CCC1C(=O)NCC(=O)N1Cc1cc(OC)ccc1Br.
What is the InChIKey of 1-[(2-bromo-5-methoxyphenyl)methyl]-6-ethylpiperazine-2,5-dione?
The InChIKey is PSKQMULHBVQJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c1-3-12-14(19)16-7-13(18)17(12)8-9-6-10(20-2)4-5-11(9)15/h4-6,12H,3,7-8H2,1-2H3,(H,16,19).
What are the key properties of 1-[(2-bromo-5-methoxyphenyl)methyl]-6-ethylpiperazine-2,5-dione?
1-[(2-bromo-5-methoxyphenyl)methyl]-6-ethylpiperazine-2,5-dione has a molecular weight of 341.21 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]-6-ethylpiperazine-2,5-dione is sourced from PubChem (CID 65331442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).