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

C17H17ClN2O2S — CID 9022679

IUPAC2-(4-chlorophenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C17H17ClN2O2S/c18-14-5-3-13(4-6-14)12-16(21)19-7-9-20(10-8-19)17(22)15-2-1-11-23-15/h1-6,11H,7-10,12H2
InChIKeyVVKFJWQURICGLT-UHFFFAOYSA-N
MW348.85 g/mol
LogP2.93
Rot. Bonds3

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

2-(4-chlorophenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 9022679) has the molecular formula C17H17ClN2O2S and a molecular weight of 348.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID9022679
Molecular FormulaC17H17ClN2O2S
Molecular Weight348.85 g/mol
Exact Mass348.07
IUPAC Name2-(4-chlorophenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C17H17ClN2O2S/c18-14-5-3-13(4-6-14)12-16(21)19-7-9-20(10-8-19)17(22)15-2-1-11-23-15/h1-6,11H,7-10,12H2
InChIKeyVVKFJWQURICGLT-UHFFFAOYSA-N
XLogP2.93
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.85
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-thiophen-2-ylmethanone
CID 4744215
2-(4-chlorophenyl)-N-[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]acetamide
CID 2994393
N-[2-(4-chlorophenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 55364689
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 60651403
4-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butanoic acid
CID 28708467
[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-(4-fluorophenyl)acetate
CID 8509907
2-(1-phenylpyrazol-4-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 18152355
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
2-(5-chloro-2-methylanilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 18096648
2-(3-methoxyphenyl)-1-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110798155
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
2-[[4-(4-chlorophenyl)oxan-4-yl]amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 86899712

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone (CID 9022679) is 2-(4-chlorophenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone is O=C(Cc1ccc(Cl)cc1)N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is VVKFJWQURICGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2S/c18-14-5-3-13(4-6-14)12-16(21)19-7-9-20(10-8-19)17(22)15-2-1-11-23-15/h1-6,11H,7-10,12H2.
What are the key properties of 2-(4-chlorophenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
2-(4-chlorophenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 348.85 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 9022679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).