1-(4-bromophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone

C17H17BrN2O2S — CID 71333619

IUPAC1-(4-bromophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(C(=O)c2cccs2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C17H17BrN2O2S/c18-14-5-3-13(4-6-14)15(21)12-19-7-9-20(10-8-19)17(22)16-2-1-11-23-16/h1-6,11H,7-10,12H2
InChIKeyPYVNICDNKNOICU-UHFFFAOYSA-N
MW393.31 g/mol
LogP3.15
Rot. Bonds4

About 1-(4-bromophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone

1-(4-bromophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 71333619) has the molecular formula C17H17BrN2O2S and a molecular weight of 393.31 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID71333619
Molecular FormulaC17H17BrN2O2S
Molecular Weight393.31 g/mol
Exact Mass392.02
IUPAC Name1-(4-bromophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(C(=O)c2cccs2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C17H17BrN2O2S/c18-14-5-3-13(4-6-14)15(21)12-19-7-9-20(10-8-19)17(22)16-2-1-11-23-16/h1-6,11H,7-10,12H2
InChIKeyPYVNICDNKNOICU-UHFFFAOYSA-N
XLogP3.15
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromophenyl)-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 108545062
[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 90643655
4-bromo-N-[3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]benzamide
CID 39948550
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267
[4-(5-bromothiophene-3-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 38004798
1-phenyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butane-1,4-dione
CID 9022754
[4-(4-bromo-1H-pyrrole-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 18115147
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
[4-(2-hydroxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 82120170
2-[4-(4-bromobenzoyl)piperazin-1-yl]acetic acid
CID 43521570
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
(4-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119689026

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(4-bromophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone (CID 71333619) is 1-(4-bromophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone is O=C(CN1CCN(C(=O)c2cccs2)CC1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is PYVNICDNKNOICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O2S/c18-14-5-3-13(4-6-14)15(21)12-19-7-9-20(10-8-19)17(22)16-2-1-11-23-16/h1-6,11H,7-10,12H2.
What are the key properties of 1-(4-bromophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
1-(4-bromophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 393.31 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 71333619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).