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

C15H19BrN2O2 — CID 82758894

IUPAC1-(2-bromo-5-methylphenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C)C(=O)N1c1cc(C)ccc1Br
InChIInChI=1S/C15H19BrN2O2/c1-5-11-13(19)17-15(3,4)14(20)18(11)12-8-9(2)6-7-10(12)16/h6-8,11H,5H2,1-4H3,(H,17,19)
InChIKeyJOFSUMNNMKITJP-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.78
Rot. Bonds2

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

1-(2-bromo-5-methylphenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione (PubChem CID 82758894) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 1-(2-bromo-5-methylphenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-bromo-5-methylphenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
PubChem CID82758894
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name1-(2-bromo-5-methylphenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C)C(=O)N1c1cc(C)ccc1Br
InChIInChI=1S/C15H19BrN2O2/c1-5-11-13(19)17-15(3,4)14(20)18(11)12-8-9(2)6-7-10(12)16/h6-8,11H,5H2,1-4H3,(H,17,19)
InChIKeyJOFSUMNNMKITJP-UHFFFAOYSA-N
XLogP2.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methylphenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione?
The IUPAC name of 1-(2-bromo-5-methylphenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione (CID 82758894) is 1-(2-bromo-5-methylphenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-bromo-5-methylphenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-bromo-5-methylphenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione is CCC1C(=O)NC(C)(C)C(=O)N1c1cc(C)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-methylphenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione?
The InChIKey is JOFSUMNNMKITJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-5-11-13(19)17-15(3,4)14(20)18(11)12-8-9(2)6-7-10(12)16/h6-8,11H,5H2,1-4H3,(H,17,19).
What are the key properties of 1-(2-bromo-5-methylphenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione?
1-(2-bromo-5-methylphenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione has a molecular weight of 339.23 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methylphenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 82758894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).