1-[4-(4-bromobenzoyl)piperazin-1-yl]ethanone

C13H15BrN2O2 — CID 23145474

IUPAC1-[4-(4-bromobenzoyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C13H15BrN2O2/c1-10(17)15-6-8-16(9-7-15)13(18)11-2-4-12(14)5-3-11/h2-5H,6-9H2,1H3
InChIKeyFXHIKUUPMOIGDR-UHFFFAOYSA-N
MW311.18 g/mol
LogP1.75
Rot. Bonds1

About 1-[4-(4-bromobenzoyl)piperazin-1-yl]ethanone

1-[4-(4-bromobenzoyl)piperazin-1-yl]ethanone (PubChem CID 23145474) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 1-[4-(4-bromobenzoyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-bromobenzoyl)piperazin-1-yl]ethanone
PubChem CID23145474
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name1-[4-(4-bromobenzoyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C13H15BrN2O2/c1-10(17)15-6-8-16(9-7-15)13(18)11-2-4-12(14)5-3-11/h2-5H,6-9H2,1H3
InChIKeyFXHIKUUPMOIGDR-UHFFFAOYSA-N
XLogP1.75
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethanone
CID 78783485
[4-(4-bromobenzoyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 108534348
2-[4-(4-bromobenzoyl)piperazin-1-yl]acetic acid
CID 43521570
(4-bromophenyl)-[4-(2,6-dimethylphenyl)piperazin-1-yl]methanone
CID 2198401
(4-bromophenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95326223
(4-bromophenyl)-[4-(2-chloroethyl)piperazin-1-yl]methanone
CID 63395617
1-[4-(3-bromo-4-fluorobenzoyl)piperazin-1-yl]ethanone
CID 103706279
(2S)-2-amino-1-[4-(4-bromobenzoyl)piperazin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 119309545
1-(4-benzoyl-1,4-diazepan-1-yl)ethanone
CID 44603157
(4-bromophenyl)-(4-hydroxyiminopiperidin-1-yl)methanone
CID 24705312
2-methylpropyl 4-(4-bromobenzoyl)piperazine-1-carboxylate
CID 108567941
(4-bromophenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
CID 110365249

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromobenzoyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-bromobenzoyl)piperazin-1-yl]ethanone (CID 23145474) is 1-[4-(4-bromobenzoyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-bromobenzoyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-bromobenzoyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-[4-(4-bromobenzoyl)piperazin-1-yl]ethanone?
The InChIKey is FXHIKUUPMOIGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-10(17)15-6-8-16(9-7-15)13(18)11-2-4-12(14)5-3-11/h2-5H,6-9H2,1H3.
What are the key properties of 1-[4-(4-bromobenzoyl)piperazin-1-yl]ethanone?
1-[4-(4-bromobenzoyl)piperazin-1-yl]ethanone has a molecular weight of 311.18 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-bromobenzoyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 23145474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).