1-(5-bromo-2-fluorophenyl)-3-propylpiperazine-2,5-dione

C13H14BrFN2O2 — CID 64961022

IUPAC1-(5-bromo-2-fluorophenyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(c2cc(Br)ccc2F)C1=O
InChIInChI=1S/C13H14BrFN2O2/c1-2-3-10-13(19)17(7-12(18)16-10)11-6-8(14)4-5-9(11)15/h4-6,10H,2-3,7H2,1H3,(H,16,18)
InChIKeyZUGZSEHPFYGPKS-UHFFFAOYSA-N
MW329.17 g/mol
LogP2.22
Rot. Bonds3

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

1-(5-bromo-2-fluorophenyl)-3-propylpiperazine-2,5-dione (PubChem CID 64961022) has the molecular formula C13H14BrFN2O2 and a molecular weight of 329.17 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-3-propylpiperazine-2,5-dione
PubChem CID64961022
Molecular FormulaC13H14BrFN2O2
Molecular Weight329.17 g/mol
Exact Mass328.02
IUPAC Name1-(5-bromo-2-fluorophenyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(c2cc(Br)ccc2F)C1=O
InChIInChI=1S/C13H14BrFN2O2/c1-2-3-10-13(19)17(7-12(18)16-10)11-6-8(14)4-5-9(11)15/h4-6,10H,2-3,7H2,1H3,(H,16,18)
InChIKeyZUGZSEHPFYGPKS-UHFFFAOYSA-N
XLogP2.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.17
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-5-methylphenyl)-3-propylpiperazine-2,5-dione
CID 64959948
1-(2,4-difluorophenyl)-3-propylpiperazine-2,5-dione
CID 64957820
1-(5-bromo-4-fluoro-2-methylphenyl)-3-propylpiperazine-2,5-dione
CID 107594321
1-(5-bromo-2-iodophenyl)-3-ethylpiperazine-2,5-dione
CID 114261326
1-(5-bromo-2-methoxyphenyl)-3-ethylpiperazine-2,5-dione
CID 64966626
1-(5-bromo-2,4-difluorophenyl)-3-propyl-1,4-diazepane-2,5-dione
CID 102855276
1-(2-chlorophenyl)-3-propylpiperazine-2,5-dione
CID 64962555
1-(4-bromo-3-methylphenyl)-3-propylpiperazine-2,5-dione
CID 64962234
1-(2-bromo-6-chloro-4-fluorophenyl)-3-propylpiperazine-2,5-dione
CID 107617423
1-(3,5-dichloro-4-fluorophenyl)-3-propylpiperazine-2,5-dione
CID 107580202
1-(2,5-difluoro-4-methylphenyl)-3-propyl-1,4-diazepane-2,5-dione
CID 103587690
1-(3,5-dimethoxyphenyl)-3-propylpiperazine-2,5-dione
CID 64956816

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-propylpiperazine-2,5-dione (CID 64961022) is 1-(5-bromo-2-fluorophenyl)-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-3-propylpiperazine-2,5-dione is CCCC1NC(=O)CN(c2cc(Br)ccc2F)C1=O.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-3-propylpiperazine-2,5-dione?
The InChIKey is ZUGZSEHPFYGPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2O2/c1-2-3-10-13(19)17(7-12(18)16-10)11-6-8(14)4-5-9(11)15/h4-6,10H,2-3,7H2,1H3,(H,16,18).
What are the key properties of 1-(5-bromo-2-fluorophenyl)-3-propylpiperazine-2,5-dione?
1-(5-bromo-2-fluorophenyl)-3-propylpiperazine-2,5-dione has a molecular weight of 329.17 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64961022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).