1-(2-bromo-4-methylphenyl)-3,3-diethylpiperazine-2,5-dione

C15H19BrN2O2 — CID 64961939

IUPAC1-(2-bromo-4-methylphenyl)-3,3-diethylpiperazine-2,5-dione
SMILESCCC1(CC)NC(=O)CN(c2ccc(C)cc2Br)C1=O
InChIInChI=1S/C15H19BrN2O2/c1-4-15(5-2)14(20)18(9-13(19)17-15)12-7-6-10(3)8-11(12)16/h6-8H,4-5,9H2,1-3H3,(H,17,19)
InChIKeyJGHWQDXTGHCYOP-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.78
Rot. Bonds3

About 1-(2-bromo-4-methylphenyl)-3,3-diethylpiperazine-2,5-dione

1-(2-bromo-4-methylphenyl)-3,3-diethylpiperazine-2,5-dione (PubChem CID 64961939) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenyl)-3,3-diethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)-3,3-diethylpiperazine-2,5-dione
PubChem CID64961939
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name1-(2-bromo-4-methylphenyl)-3,3-diethylpiperazine-2,5-dione
SMILESCCC1(CC)NC(=O)CN(c2ccc(C)cc2Br)C1=O
InChIInChI=1S/C15H19BrN2O2/c1-4-15(5-2)14(20)18(9-13(19)17-15)12-7-6-10(3)8-11(12)16/h6-8H,4-5,9H2,1-3H3,(H,17,19)
InChIKeyJGHWQDXTGHCYOP-UHFFFAOYSA-N
XLogP2.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-chlorophenyl)-3,3-diethyl-1,4-diazepane-2,5-dione
CID 81256348
3,3-diethyl-1-(2-propylphenyl)piperazine-2,5-dione
CID 64966229
1-(2-chloro-4-methylphenyl)-3-ethyl-3-methylpiperazine-2,5-dione
CID 64962753
1-(2-chloro-5-fluorophenyl)-3,3-diethylpiperazine-2,5-dione
CID 107531646
1-(2-bromo-4-methylphenyl)-1,4-diazepane-2,5-dione
CID 64962058
1-(3-bromo-5-methoxyphenyl)-3,3-diethylpiperazine-2,5-dione
CID 82860799
1-(3-bromo-4-methylphenyl)-3,3-diethyl-1,4-diazepane-2,5-dione
CID 64970666
3,3-diethyl-1-(3-fluorophenyl)piperazine-2,5-dione
CID 64955543
1-(2-bromo-4-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64962057
1-(2,5-dibromophenyl)-3-ethyl-3-methylpiperazine-2,5-dione
CID 64964348
1-(1-benzothiophen-5-yl)-3,3-diethylpiperazine-2,5-dione
CID 65452546
1-[(3-bromo-4-fluorophenyl)methyl]-3,3-diethylpiperazine-2,5-dione
CID 64881959

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenyl)-3,3-diethylpiperazine-2,5-dione?
The IUPAC name of 1-(2-bromo-4-methylphenyl)-3,3-diethylpiperazine-2,5-dione (CID 64961939) is 1-(2-bromo-4-methylphenyl)-3,3-diethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)-3,3-diethylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)-3,3-diethylpiperazine-2,5-dione is CCC1(CC)NC(=O)CN(c2ccc(C)cc2Br)C1=O.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)-3,3-diethylpiperazine-2,5-dione?
The InChIKey is JGHWQDXTGHCYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-4-15(5-2)14(20)18(9-13(19)17-15)12-7-6-10(3)8-11(12)16/h6-8H,4-5,9H2,1-3H3,(H,17,19).
What are the key properties of 1-(2-bromo-4-methylphenyl)-3,3-diethylpiperazine-2,5-dione?
1-(2-bromo-4-methylphenyl)-3,3-diethylpiperazine-2,5-dione has a molecular weight of 339.23 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylphenyl)-3,3-diethylpiperazine-2,5-dione is sourced from PubChem (CID 64961939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).