5-(4-bromophenyl)-5-methylpiperazine-2,3-dione

C11H11BrN2O2 — CID 116856094

IUPAC5-(4-bromophenyl)-5-methylpiperazine-2,3-dione
SMILESCC1(c2ccc(Br)cc2)CNC(=O)C(=O)N1
InChIInChI=1S/C11H11BrN2O2/c1-11(6-13-9(15)10(16)14-11)7-2-4-8(12)5-3-7/h2-5H,6H2,1H3,(H,13,15)(H,14,16)
InChIKeyLGBFBOXTLBYKQN-UHFFFAOYSA-N
MW283.12 g/mol
LogP0.91
Rot. Bonds1

About 5-(4-bromophenyl)-5-methylpiperazine-2,3-dione

5-(4-bromophenyl)-5-methylpiperazine-2,3-dione (PubChem CID 116856094) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 5-(4-bromophenyl)-5-methylpiperazine-2,3-dione.

Molecular Properties

Compound Name5-(4-bromophenyl)-5-methylpiperazine-2,3-dione
PubChem CID116856094
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name5-(4-bromophenyl)-5-methylpiperazine-2,3-dione
SMILESCC1(c2ccc(Br)cc2)CNC(=O)C(=O)N1
InChIInChI=1S/C11H11BrN2O2/c1-11(6-13-9(15)10(16)14-11)7-2-4-8(12)5-3-7/h2-5H,6H2,1H3,(H,13,15)(H,14,16)
InChIKeyLGBFBOXTLBYKQN-UHFFFAOYSA-N
XLogP0.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

5-(4-fluorophenyl)-5-methylpiperazine-2,3-dione
CID 116856092
5-(4-methoxyphenyl)-5-methylpiperazine-2,3-dione
CID 116856095
5-(4-ethoxy-3-methylphenyl)-5-methylpiperazine-2,3-dione
CID 116856127
4-methyl-4-(4-methylphenyl)imidazolidin-2-one
CID 105444277
5-methyl-5-(1H-pyrrol-2-yl)piperazine-2,3-dione
CID 116856134
5-(2,5-dimethylphenyl)-5-methylpiperazine-2,3-dione
CID 116856090
4-(4-methoxyphenyl)-4-methylimidazolidin-2-one
CID 105458751
6-(4-bromophenyl)-6-methylmorpholin-3-one
CID 117159225
2-(4-bromophenyl)-2-methyl-1,3-thiazolidin-4-one
CID 536046
(3S)-3-(4-bromophenyl)-3-methyl-1,2-dihydropyrrol-5-amine
CID 141332929
9-(4-bromophenyl)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64962604
2,4-bis(4-bromophenyl)-4-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepine
CID 11835254

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-5-methylpiperazine-2,3-dione?
The IUPAC name of 5-(4-bromophenyl)-5-methylpiperazine-2,3-dione (CID 116856094) is 5-(4-bromophenyl)-5-methylpiperazine-2,3-dione.
What is the SMILES notation for 5-(4-bromophenyl)-5-methylpiperazine-2,3-dione?
The canonical SMILES for 5-(4-bromophenyl)-5-methylpiperazine-2,3-dione is CC1(c2ccc(Br)cc2)CNC(=O)C(=O)N1.
What is the InChIKey of 5-(4-bromophenyl)-5-methylpiperazine-2,3-dione?
The InChIKey is LGBFBOXTLBYKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-11(6-13-9(15)10(16)14-11)7-2-4-8(12)5-3-7/h2-5H,6H2,1H3,(H,13,15)(H,14,16).
What are the key properties of 5-(4-bromophenyl)-5-methylpiperazine-2,3-dione?
5-(4-bromophenyl)-5-methylpiperazine-2,3-dione has a molecular weight of 283.12 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-5-methylpiperazine-2,3-dione is sourced from PubChem (CID 116856094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).