1-(5-chlorothiophen-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanone

C13H18ClNOS — CID 62123229

IUPAC1-(5-chlorothiophen-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanone
SMILESCC1CCCN(CC(=O)c2ccc(Cl)s2)C1C
InChIInChI=1S/C13H18ClNOS/c1-9-4-3-7-15(10(9)2)8-11(16)12-5-6-13(14)17-12/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyNIDRRAQQKKZNLP-UHFFFAOYSA-N
MW271.81 g/mol
LogP3.70
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanone

1-(5-chlorothiophen-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanone (PubChem CID 62123229) has the molecular formula C13H18ClNOS and a molecular weight of 271.81 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanone
PubChem CID62123229
Molecular FormulaC13H18ClNOS
Molecular Weight271.81 g/mol
Exact Mass271.08
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanone
SMILESCC1CCCN(CC(=O)c2ccc(Cl)s2)C1C
InChIInChI=1S/C13H18ClNOS/c1-9-4-3-7-15(10(9)2)8-11(16)12-5-6-13(14)17-12/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyNIDRRAQQKKZNLP-UHFFFAOYSA-N
XLogP3.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dimethylpiperidin-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 55039892
1-(5-chlorothiophen-2-yl)-2-(2-ethylpiperidin-1-yl)ethanone
CID 4014587
1-(5-chlorothiophen-2-yl)-2-(2-ethylazepan-1-yl)ethanone
CID 104690747
1-(4-bromophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanone
CID 55039891
1-(5-chlorothiophen-2-yl)-2-(4-cyclopentylpiperazin-1-yl)ethanone
CID 62369289
1-(5-chlorothiophen-2-yl)-2-(4-propylpiperidin-1-yl)ethanone
CID 62205766
1-(5-chlorothiophen-2-yl)-2-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 43228349
1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 62037332
2-(2,3-dimethylpiperidin-1-yl)-1-(4-ethoxyphenyl)ethanone
CID 62123584
1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-methylimidazolidin-2-one
CID 62491856
1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione
CID 62023826
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(5-methylthiophen-2-yl)ethanone
CID 102727266

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanone (CID 62123229) is 1-(5-chlorothiophen-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanone is CC1CCCN(CC(=O)c2ccc(Cl)s2)C1C.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanone?
The InChIKey is NIDRRAQQKKZNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNOS/c1-9-4-3-7-15(10(9)2)8-11(16)12-5-6-13(14)17-12/h5-6,9-10H,3-4,7-8H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanone?
1-(5-chlorothiophen-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanone has a molecular weight of 271.81 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 62123229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).