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

C14H16BrFN2O2 — CID 107594321

IUPAC1-(5-bromo-4-fluoro-2-methylphenyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(c2cc(Br)c(F)cc2C)C1=O
InChIInChI=1S/C14H16BrFN2O2/c1-3-4-11-14(20)18(7-13(19)17-11)12-6-9(15)10(16)5-8(12)2/h5-6,11H,3-4,7H2,1-2H3,(H,17,19)
InChIKeyZQXPOGHBCPOVDX-UHFFFAOYSA-N
MW343.20 g/mol
LogP2.53
Rot. Bonds3

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

1-(5-bromo-4-fluoro-2-methylphenyl)-3-propylpiperazine-2,5-dione (PubChem CID 107594321) has the molecular formula C14H16BrFN2O2 and a molecular weight of 343.20 g/mol. Its IUPAC name is 1-(5-bromo-4-fluoro-2-methylphenyl)-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(5-bromo-4-fluoro-2-methylphenyl)-3-propylpiperazine-2,5-dione
PubChem CID107594321
Molecular FormulaC14H16BrFN2O2
Molecular Weight343.20 g/mol
Exact Mass342.04
IUPAC Name1-(5-bromo-4-fluoro-2-methylphenyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(c2cc(Br)c(F)cc2C)C1=O
InChIInChI=1S/C14H16BrFN2O2/c1-3-4-11-14(20)18(7-13(19)17-11)12-6-9(15)10(16)5-8(12)2/h5-6,11H,3-4,7H2,1-2H3,(H,17,19)
InChIKeyZQXPOGHBCPOVDX-UHFFFAOYSA-N
XLogP2.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.20
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-bromo-4-fluoro-2-methylphenyl)-3-propylpiperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromo-4-fluoro-2-methylphenyl)-3-methylpiperazine-2,5-dione
CID 107594316
1-(5-bromo-2-fluorophenyl)-3-propylpiperazine-2,5-dione
CID 64961022
1-(2,4-difluorophenyl)-3-propylpiperazine-2,5-dione
CID 64957820
1-(5-bromo-2,4-difluorophenyl)-3-propyl-1,4-diazepane-2,5-dione
CID 102855276
1-(2-fluoro-5-methylphenyl)-3-propylpiperazine-2,5-dione
CID 64959948
1-(4-bromo-3-methylphenyl)-3-propylpiperazine-2,5-dione
CID 64962234
1-(5-bromo-2,4-difluorophenyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 102855290
1-(2-bromo-6-chloro-4-fluorophenyl)-3-propylpiperazine-2,5-dione
CID 107617423
1-(2,5-difluoro-4-methylphenyl)-3-propyl-1,4-diazepane-2,5-dione
CID 103587690
1-(3,5-dichloro-4-fluorophenyl)-3-propylpiperazine-2,5-dione
CID 107580202
1-(2-chlorophenyl)-3-propylpiperazine-2,5-dione
CID 64962555
1-(2,5-difluoro-4-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 103587706

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-fluoro-2-methylphenyl)-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-(5-bromo-4-fluoro-2-methylphenyl)-3-propylpiperazine-2,5-dione (CID 107594321) is 1-(5-bromo-4-fluoro-2-methylphenyl)-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-(5-bromo-4-fluoro-2-methylphenyl)-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-(5-bromo-4-fluoro-2-methylphenyl)-3-propylpiperazine-2,5-dione is CCCC1NC(=O)CN(c2cc(Br)c(F)cc2C)C1=O.
What is the InChIKey of 1-(5-bromo-4-fluoro-2-methylphenyl)-3-propylpiperazine-2,5-dione?
The InChIKey is ZQXPOGHBCPOVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2O2/c1-3-4-11-14(20)18(7-13(19)17-11)12-6-9(15)10(16)5-8(12)2/h5-6,11H,3-4,7H2,1-2H3,(H,17,19).
What are the key properties of 1-(5-bromo-4-fluoro-2-methylphenyl)-3-propylpiperazine-2,5-dione?
1-(5-bromo-4-fluoro-2-methylphenyl)-3-propylpiperazine-2,5-dione has a molecular weight of 343.20 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-fluoro-2-methylphenyl)-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 107594321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).