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

C12H13BrN2O2 — CID 107580277

IUPAC1-(3-bromo-5-methylphenyl)-6-methylpiperazine-2,5-dione
SMILESCc1cc(Br)cc(N2C(=O)CNC(=O)C2C)c1
InChIInChI=1S/C12H13BrN2O2/c1-7-3-9(13)5-10(4-7)15-8(2)12(17)14-6-11(15)16/h3-5,8H,6H2,1-2H3,(H,14,17)
InChIKeyFFSQLODPJZJVGV-UHFFFAOYSA-N
MW297.15 g/mol
LogP1.61
Rot. Bonds1

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

1-(3-bromo-5-methylphenyl)-6-methylpiperazine-2,5-dione (PubChem CID 107580277) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is 1-(3-bromo-5-methylphenyl)-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-bromo-5-methylphenyl)-6-methylpiperazine-2,5-dione
PubChem CID107580277
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name1-(3-bromo-5-methylphenyl)-6-methylpiperazine-2,5-dione
SMILESCc1cc(Br)cc(N2C(=O)CNC(=O)C2C)c1
InChIInChI=1S/C12H13BrN2O2/c1-7-3-9(13)5-10(4-7)15-8(2)12(17)14-6-11(15)16/h3-5,8H,6H2,1-2H3,(H,14,17)
InChIKeyFFSQLODPJZJVGV-UHFFFAOYSA-N
XLogP1.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-fluorophenyl)-6-methylpiperazine-2,5-dione
CID 64962977
1-(1-benzothiophen-5-yl)-6-methylpiperazine-2,5-dione
CID 65452340
1-(3-bromo-5-methylphenyl)-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 107580268
1-(4-butylphenyl)-6-methylpiperazine-2,5-dione
CID 64960777
1-(3-bromophenyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64961530
1-(2,4-difluorophenyl)-6-methylpiperazine-2,5-dione
CID 64957933
1-(3-bromo-5-methylphenyl)pyrrolidine-2,4-dione
CID 107583735
4-(3-bromo-5-methylphenyl)morpholine-2,6-dione
CID 107579563
4-(aminomethyl)-1-(3-bromo-5-methylphenyl)pyrrolidin-2-one
CID 107579655
1-(4-chloro-2-fluorophenyl)-6-methylpiperazine-2,5-dione
CID 64965226
1-[(4-bromothiophen-2-yl)methyl]-6-methylpiperazine-2,5-dione
CID 64879457
6-methyl-1-(1-methylpyrazol-3-yl)piperazine-2,5-dione
CID 79786543

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylphenyl)-6-methylpiperazine-2,5-dione?
The IUPAC name of 1-(3-bromo-5-methylphenyl)-6-methylpiperazine-2,5-dione (CID 107580277) is 1-(3-bromo-5-methylphenyl)-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3-bromo-5-methylphenyl)-6-methylpiperazine-2,5-dione?
The canonical SMILES for 1-(3-bromo-5-methylphenyl)-6-methylpiperazine-2,5-dione is Cc1cc(Br)cc(N2C(=O)CNC(=O)C2C)c1.
What is the InChIKey of 1-(3-bromo-5-methylphenyl)-6-methylpiperazine-2,5-dione?
The InChIKey is FFSQLODPJZJVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c1-7-3-9(13)5-10(4-7)15-8(2)12(17)14-6-11(15)16/h3-5,8H,6H2,1-2H3,(H,14,17).
What are the key properties of 1-(3-bromo-5-methylphenyl)-6-methylpiperazine-2,5-dione?
1-(3-bromo-5-methylphenyl)-6-methylpiperazine-2,5-dione has a molecular weight of 297.15 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylphenyl)-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 107580277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).