1-(2,5-dibromophenyl)-3-ethyl-3-methylpiperazine-2,5-dione

C13H14Br2N2O2 — CID 64964348

IUPAC1-(2,5-dibromophenyl)-3-ethyl-3-methylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)CN(c2cc(Br)ccc2Br)C1=O
InChIInChI=1S/C13H14Br2N2O2/c1-3-13(2)12(19)17(7-11(18)16-13)10-6-8(14)4-5-9(10)15/h4-6H,3,7H2,1-2H3,(H,16,18)
InChIKeyHSVUPWJZOCVZOW-UHFFFAOYSA-N
MW390.08 g/mol
LogP2.84
Rot. Bonds2

About 1-(2,5-dibromophenyl)-3-ethyl-3-methylpiperazine-2,5-dione

1-(2,5-dibromophenyl)-3-ethyl-3-methylpiperazine-2,5-dione (PubChem CID 64964348) has the molecular formula C13H14Br2N2O2 and a molecular weight of 390.08 g/mol. Its IUPAC name is 1-(2,5-dibromophenyl)-3-ethyl-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2,5-dibromophenyl)-3-ethyl-3-methylpiperazine-2,5-dione
PubChem CID64964348
Molecular FormulaC13H14Br2N2O2
Molecular Weight390.08 g/mol
Exact Mass387.94
IUPAC Name1-(2,5-dibromophenyl)-3-ethyl-3-methylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)CN(c2cc(Br)ccc2Br)C1=O
InChIInChI=1S/C13H14Br2N2O2/c1-3-13(2)12(19)17(7-11(18)16-13)10-6-8(14)4-5-9(10)15/h4-6H,3,7H2,1-2H3,(H,16,18)
InChIKeyHSVUPWJZOCVZOW-UHFFFAOYSA-N
XLogP2.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.08
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-methylphenyl)-3-ethyl-3-methylpiperazine-2,5-dione
CID 64962753
1-(4-bromo-3-methoxyphenyl)-3-ethyl-3-methylpiperazine-2,5-dione
CID 82859150
1-(4-bromo-3,5-dimethylphenyl)-3-ethyl-3-methylpiperazine-2,5-dione
CID 107580173
1-(4-bromophenyl)-3-ethyl-3-methyl-1,4-diazepane-2,5-dione
CID 64962399
1-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-3-methylpiperazine-2,5-dione
CID 64956695
1-(3-bromo-4-methylphenyl)-3-ethyl-3-methyl-1,4-diazepane-2,5-dione
CID 64970822
1-(2-bromo-4-methylphenyl)-3,3-diethylpiperazine-2,5-dione
CID 64961939
1-(2,4-dibromophenyl)imidazolidine-2,4-dione
CID 79777774
1-(2,4-difluorophenyl)-3-ethyl-3-methyl-1,4-diazepane-2,5-dione
CID 64957751
1-(4-bromo-2-fluorophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64962263
1-(2-bromo-5-fluorophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 107640312
3-ethyl-1-(2-iodophenyl)-3-methyl-1,4-diazepane-2,5-dione
CID 64963296

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromophenyl)-3-ethyl-3-methylpiperazine-2,5-dione?
The IUPAC name of 1-(2,5-dibromophenyl)-3-ethyl-3-methylpiperazine-2,5-dione (CID 64964348) is 1-(2,5-dibromophenyl)-3-ethyl-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2,5-dibromophenyl)-3-ethyl-3-methylpiperazine-2,5-dione?
The canonical SMILES for 1-(2,5-dibromophenyl)-3-ethyl-3-methylpiperazine-2,5-dione is CCC1(C)NC(=O)CN(c2cc(Br)ccc2Br)C1=O.
What is the InChIKey of 1-(2,5-dibromophenyl)-3-ethyl-3-methylpiperazine-2,5-dione?
The InChIKey is HSVUPWJZOCVZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2N2O2/c1-3-13(2)12(19)17(7-11(18)16-13)10-6-8(14)4-5-9(10)15/h4-6H,3,7H2,1-2H3,(H,16,18).
What are the key properties of 1-(2,5-dibromophenyl)-3-ethyl-3-methylpiperazine-2,5-dione?
1-(2,5-dibromophenyl)-3-ethyl-3-methylpiperazine-2,5-dione has a molecular weight of 390.08 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromophenyl)-3-ethyl-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64964348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).