1-(2-bromo-4-methylphenyl)-6-methyl-3-propylpiperazine-2,5-dione

C15H19BrN2O2 — CID 64962036

IUPAC1-(2-bromo-4-methylphenyl)-6-methyl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)N(c2ccc(C)cc2Br)C1=O
InChIInChI=1S/C15H19BrN2O2/c1-4-5-12-15(20)18(10(3)14(19)17-12)13-7-6-9(2)8-11(13)16/h6-8,10,12H,4-5H2,1-3H3,(H,17,19)
InChIKeyQMYXTAAQMWXZMN-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.78
Rot. Bonds3

About 1-(2-bromo-4-methylphenyl)-6-methyl-3-propylpiperazine-2,5-dione

1-(2-bromo-4-methylphenyl)-6-methyl-3-propylpiperazine-2,5-dione (PubChem CID 64962036) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenyl)-6-methyl-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)-6-methyl-3-propylpiperazine-2,5-dione
PubChem CID64962036
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name1-(2-bromo-4-methylphenyl)-6-methyl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)N(c2ccc(C)cc2Br)C1=O
InChIInChI=1S/C15H19BrN2O2/c1-4-5-12-15(20)18(10(3)14(19)17-12)13-7-6-9(2)8-11(13)16/h6-8,10,12H,4-5H2,1-3H3,(H,17,19)
InChIKeyQMYXTAAQMWXZMN-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-bromophenyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 64962473
6-methyl-1-(4-methylphenyl)-3-propylpiperazine-2,5-dione
CID 64959354
1-(4-bromophenyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 64962386
1-(2,4-dibromophenyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64965232
1-(2-ethoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 64957101
1-(2-bromo-4-methylphenyl)-3-(2-hydroxyethyl)-6-methylpiperazin-2-one
CID 84607797
1-(3-methoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 64959643
1-(2-bromophenyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64962495
1-(2-bromo-4-fluorophenyl)-3,6-dimethylpiperazine-2,5-dione
CID 64962920
1-(4-bromo-2,5-difluorophenyl)-3-ethyl-6-methylpiperazine-2,5-dione
CID 107608196
1-(2-chloro-5-methylphenyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 107640202
3-ethyl-1-(4-methoxy-2-methylphenyl)-6-methylpiperazine-2,5-dione
CID 64970204

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenyl)-6-methyl-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-(2-bromo-4-methylphenyl)-6-methyl-3-propylpiperazine-2,5-dione (CID 64962036) is 1-(2-bromo-4-methylphenyl)-6-methyl-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)-6-methyl-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)-6-methyl-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(C)N(c2ccc(C)cc2Br)C1=O.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)-6-methyl-3-propylpiperazine-2,5-dione?
The InChIKey is QMYXTAAQMWXZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-4-5-12-15(20)18(10(3)14(19)17-12)13-7-6-9(2)8-11(13)16/h6-8,10,12H,4-5H2,1-3H3,(H,17,19).
What are the key properties of 1-(2-bromo-4-methylphenyl)-6-methyl-3-propylpiperazine-2,5-dione?
1-(2-bromo-4-methylphenyl)-6-methyl-3-propylpiperazine-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)-6-methyl-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64962036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).