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

C13H15BrN2O3 — CID 64966626

IUPAC1-(5-bromo-2-methoxyphenyl)-3-ethylpiperazine-2,5-dione
SMILESCCC1NC(=O)CN(c2cc(Br)ccc2OC)C1=O
InChIInChI=1S/C13H15BrN2O3/c1-3-9-13(18)16(7-12(17)15-9)10-6-8(14)4-5-11(10)19-2/h4-6,9H,3,7H2,1-2H3,(H,15,17)
InChIKeyGNFOSVKWQZMPBC-UHFFFAOYSA-N
MW327.18 g/mol
LogP1.70
Rot. Bonds3

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

1-(5-bromo-2-methoxyphenyl)-3-ethylpiperazine-2,5-dione (PubChem CID 64966626) has the molecular formula C13H15BrN2O3 and a molecular weight of 327.18 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-3-ethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-3-ethylpiperazine-2,5-dione
PubChem CID64966626
Molecular FormulaC13H15BrN2O3
Molecular Weight327.18 g/mol
Exact Mass326.03
IUPAC Name1-(5-bromo-2-methoxyphenyl)-3-ethylpiperazine-2,5-dione
SMILESCCC1NC(=O)CN(c2cc(Br)ccc2OC)C1=O
InChIInChI=1S/C13H15BrN2O3/c1-3-9-13(18)16(7-12(17)15-9)10-6-8(14)4-5-11(10)19-2/h4-6,9H,3,7H2,1-2H3,(H,15,17)
InChIKeyGNFOSVKWQZMPBC-UHFFFAOYSA-N
XLogP1.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64966541
1-(5-bromo-2-iodophenyl)-3-ethylpiperazine-2,5-dione
CID 114261326
3-ethyl-1-(4-fluoro-2-methoxyphenyl)piperazine-2,5-dione
CID 64966592
1-(5-bromo-2-methoxyphenyl)piperazine-2,5-dione
CID 64955055
1-(5-bromo-2-fluorophenyl)-3-propylpiperazine-2,5-dione
CID 64961022
1-(5-chloro-2-methoxyphenyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64961848
1-(4-bromo-2-methylphenyl)-3-ethyl-1,4-diazepane-2,5-dione
CID 64962609
3-ethyl-1-[2-(trifluoromethyl)phenyl]piperazine-2,5-dione
CID 64956531
1-(4-bromo-2-ethylphenyl)-3-methylpiperazine-2,5-dione
CID 81290854
1-(2,3-dichlorophenyl)-3-ethylpiperazine-2,5-dione
CID 64962337
1-(5-chloro-2-methoxyphenyl)-3-cyclopropylpiperazine-2,5-dione
CID 64961745
3-ethyl-1-(3-fluoro-4-methylphenyl)piperazine-2,5-dione
CID 64958384

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-3-ethylpiperazine-2,5-dione?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-3-ethylpiperazine-2,5-dione (CID 64966626) is 1-(5-bromo-2-methoxyphenyl)-3-ethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-3-ethylpiperazine-2,5-dione?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-3-ethylpiperazine-2,5-dione is CCC1NC(=O)CN(c2cc(Br)ccc2OC)C1=O.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-3-ethylpiperazine-2,5-dione?
The InChIKey is GNFOSVKWQZMPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O3/c1-3-9-13(18)16(7-12(17)15-9)10-6-8(14)4-5-11(10)19-2/h4-6,9H,3,7H2,1-2H3,(H,15,17).
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-3-ethylpiperazine-2,5-dione?
1-(5-bromo-2-methoxyphenyl)-3-ethylpiperazine-2,5-dione has a molecular weight of 327.18 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-(5-bromo-2-methoxyphenyl)-3-ethylpiperazine-2,5-dione is sourced from PubChem (CID 64966626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).