2-(5-chlorothiophen-3-yl)-1-piperidin-4-ylethanone

C11H14ClNOS — CID 131071025

IUPAC2-(5-chlorothiophen-3-yl)-1-piperidin-4-ylethanone
SMILESO=C(Cc1csc(Cl)c1)C1CCNCC1
InChIInChI=1S/C11H14ClNOS/c12-11-6-8(7-15-11)5-10(14)9-1-3-13-4-2-9/h6-7,9,13H,1-5H2
InChIKeyZWSJPRRKAILMPR-UHFFFAOYSA-N
MW243.76 g/mol
LogP2.51
Rot. Bonds3

About 2-(5-chlorothiophen-3-yl)-1-piperidin-4-ylethanone

2-(5-chlorothiophen-3-yl)-1-piperidin-4-ylethanone (PubChem CID 131071025) has the molecular formula C11H14ClNOS and a molecular weight of 243.76 g/mol. Its IUPAC name is 2-(5-chlorothiophen-3-yl)-1-piperidin-4-ylethanone.

Molecular Properties

Compound Name2-(5-chlorothiophen-3-yl)-1-piperidin-4-ylethanone
PubChem CID131071025
Molecular FormulaC11H14ClNOS
Molecular Weight243.76 g/mol
Exact Mass243.05
IUPAC Name2-(5-chlorothiophen-3-yl)-1-piperidin-4-ylethanone
SMILESO=C(Cc1csc(Cl)c1)C1CCNCC1
InChIInChI=1S/C11H14ClNOS/c12-11-6-8(7-15-11)5-10(14)9-1-3-13-4-2-9/h6-7,9,13H,1-5H2
InChIKeyZWSJPRRKAILMPR-UHFFFAOYSA-N
XLogP2.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-difluorophenyl)-1-piperidin-4-ylethanone
CID 105411850
2-(4-methylphenyl)-1-piperidin-4-ylethanone
CID 82079035
2-(4-chloro-2-fluorophenyl)-1-piperidin-4-ylethanone
CID 114863179
1-piperidin-4-yl-2-pyridin-3-ylethanone
CID 83687076
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-piperidin-4-ylethanone
CID 116547629
1-piperidin-4-ylpropan-1-one;hydroiodide
CID 142277928
2-(3,5-dimethylphenyl)-1-pyrrolidin-3-ylethanone
CID 116568207
2-(5-chlorothiophen-3-yl)-1-(4-methylthiophen-2-yl)ethanone
CID 130767597
2-(2-chlorothiophen-3-yl)-1-cyclohexylethanone
CID 164651092
[2-(2-oxo-2-piperidin-4-ylethyl)phenyl]methanesulfinic acid
CID 174479438
2-(4-chlorophenyl)-1-cyclobutylethanone
CID 61077692
2-(4-chloro-3-fluorophenyl)-1-cyclopropylethanone
CID 107883911

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-3-yl)-1-piperidin-4-ylethanone?
The IUPAC name of 2-(5-chlorothiophen-3-yl)-1-piperidin-4-ylethanone (CID 131071025) is 2-(5-chlorothiophen-3-yl)-1-piperidin-4-ylethanone.
What is the SMILES notation for 2-(5-chlorothiophen-3-yl)-1-piperidin-4-ylethanone?
The canonical SMILES for 2-(5-chlorothiophen-3-yl)-1-piperidin-4-ylethanone is O=C(Cc1csc(Cl)c1)C1CCNCC1.
What is the InChIKey of 2-(5-chlorothiophen-3-yl)-1-piperidin-4-ylethanone?
The InChIKey is ZWSJPRRKAILMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNOS/c12-11-6-8(7-15-11)5-10(14)9-1-3-13-4-2-9/h6-7,9,13H,1-5H2.
What are the key properties of 2-(5-chlorothiophen-3-yl)-1-piperidin-4-ylethanone?
2-(5-chlorothiophen-3-yl)-1-piperidin-4-ylethanone has a molecular weight of 243.76 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-3-yl)-1-piperidin-4-ylethanone is sourced from PubChem (CID 131071025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).