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

C14H17BrN2O2 — CID 64962234

IUPAC1-(4-bromo-3-methylphenyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(c2ccc(Br)c(C)c2)C1=O
InChIInChI=1S/C14H17BrN2O2/c1-3-4-12-14(19)17(8-13(18)16-12)10-5-6-11(15)9(2)7-10/h5-7,12H,3-4,8H2,1-2H3,(H,16,18)
InChIKeyOGRWFJCUONXWKQ-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.39
Rot. Bonds3

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

1-(4-bromo-3-methylphenyl)-3-propylpiperazine-2,5-dione (PubChem CID 64962234) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-3-propylpiperazine-2,5-dione
PubChem CID64962234
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name1-(4-bromo-3-methylphenyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(c2ccc(Br)c(C)c2)C1=O
InChIInChI=1S/C14H17BrN2O2/c1-3-4-12-14(19)17(8-13(18)16-12)10-5-6-11(15)9(2)7-10/h5-7,12H,3-4,8H2,1-2H3,(H,16,18)
InChIKeyOGRWFJCUONXWKQ-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-3-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64962128
1-(5-bromo-4-fluoro-2-methylphenyl)-3-propylpiperazine-2,5-dione
CID 107594321
1-(3,5-dimethoxyphenyl)-3-propylpiperazine-2,5-dione
CID 64956816
1-(4-chloro-3-methoxyphenyl)-3-propylpiperazine-2,5-dione
CID 107623446
1-(5-methyl-3-pyridinyl)-3-propylpiperazine-2,5-dione
CID 107587022
1-(3-bromo-4-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64970831
3-propyl-1-quinolin-6-ylpiperazine-2,5-dione
CID 64969744
1-(3,5-dichloro-4-fluorophenyl)-3-propylpiperazine-2,5-dione
CID 107580202
3-ethyl-1-(3-fluoro-4-methylphenyl)piperazine-2,5-dione
CID 64958384
1-(5-bromo-2-fluorophenyl)-3-propylpiperazine-2,5-dione
CID 64961022
3-propyl-1-pyridin-3-ylpiperazine-2,5-dione
CID 64956276
1-(4-bromo-3-methylphenyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 115946331

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-3-propylpiperazine-2,5-dione (CID 64962234) is 1-(4-bromo-3-methylphenyl)-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-3-propylpiperazine-2,5-dione is CCCC1NC(=O)CN(c2ccc(Br)c(C)c2)C1=O.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-3-propylpiperazine-2,5-dione?
The InChIKey is OGRWFJCUONXWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-3-4-12-14(19)17(8-13(18)16-12)10-5-6-11(15)9(2)7-10/h5-7,12H,3-4,8H2,1-2H3,(H,16,18).
What are the key properties of 1-(4-bromo-3-methylphenyl)-3-propylpiperazine-2,5-dione?
1-(4-bromo-3-methylphenyl)-3-propylpiperazine-2,5-dione has a molecular weight of 325.21 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64962234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).