1-(2-bromophenyl)-6-methyl-3-propylpiperazine-2,5-dione

C14H17BrN2O2 — CID 64962473

IUPAC1-(2-bromophenyl)-6-methyl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)N(c2ccccc2Br)C1=O
InChIInChI=1S/C14H17BrN2O2/c1-3-6-11-14(19)17(9(2)13(18)16-11)12-8-5-4-7-10(12)15/h4-5,7-9,11H,3,6H2,1-2H3,(H,16,18)
InChIKeyMADLUBWPYXPZCW-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.47
Rot. Bonds3

About 1-(2-bromophenyl)-6-methyl-3-propylpiperazine-2,5-dione

1-(2-bromophenyl)-6-methyl-3-propylpiperazine-2,5-dione (PubChem CID 64962473) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 1-(2-bromophenyl)-6-methyl-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-bromophenyl)-6-methyl-3-propylpiperazine-2,5-dione
PubChem CID64962473
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name1-(2-bromophenyl)-6-methyl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)N(c2ccccc2Br)C1=O
InChIInChI=1S/C14H17BrN2O2/c1-3-6-11-14(19)17(9(2)13(18)16-11)12-8-5-4-7-10(12)15/h4-5,7-9,11H,3,6H2,1-2H3,(H,16,18)
InChIKeyMADLUBWPYXPZCW-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-methylphenyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 64962036
1-(2-bromophenyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64962495
1-(2-ethoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 64957101
1-(4-bromophenyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 64962386
6-methyl-1-(4-methylphenyl)-3-propylpiperazine-2,5-dione
CID 64959354
1-(3-methoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 64959643
1-(2-bromophenyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64962329
1-(2,4-dibromophenyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64965232
6-methyl-1-(1-methylpyrazol-4-yl)-3-propylpiperazine-2,5-dione
CID 64960563
1-(4-bromo-2,5-difluorophenyl)-3-ethyl-6-methylpiperazine-2,5-dione
CID 107608196
1-[(2-chlorophenyl)methyl]-6-methyl-3-propylpiperazine-2,5-dione
CID 64873550
1-(4-fluoro-3-methoxyphenyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 114840981

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-6-methyl-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-(2-bromophenyl)-6-methyl-3-propylpiperazine-2,5-dione (CID 64962473) is 1-(2-bromophenyl)-6-methyl-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-bromophenyl)-6-methyl-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-bromophenyl)-6-methyl-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(C)N(c2ccccc2Br)C1=O.
What is the InChIKey of 1-(2-bromophenyl)-6-methyl-3-propylpiperazine-2,5-dione?
The InChIKey is MADLUBWPYXPZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-3-6-11-14(19)17(9(2)13(18)16-11)12-8-5-4-7-10(12)15/h4-5,7-9,11H,3,6H2,1-2H3,(H,16,18).
What are the key properties of 1-(2-bromophenyl)-6-methyl-3-propylpiperazine-2,5-dione?
1-(2-bromophenyl)-6-methyl-3-propylpiperazine-2,5-dione has a molecular weight of 325.21 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-6-methyl-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64962473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).