1-(5-chlorothiophen-2-yl)-2-(2-ethylpiperidin-1-yl)ethanone

C13H18ClNOS — CID 4014587

IUPAC1-(5-chlorothiophen-2-yl)-2-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1CC(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H18ClNOS/c1-2-10-5-3-4-8-15(10)9-11(16)12-6-7-13(14)17-12/h6-7,10H,2-5,8-9H2,1H3
InChIKeyYEXVPVSIPDASRF-UHFFFAOYSA-N
MW271.81 g/mol
LogP3.85
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-2-(2-ethylpiperidin-1-yl)ethanone

1-(5-chlorothiophen-2-yl)-2-(2-ethylpiperidin-1-yl)ethanone (PubChem CID 4014587) 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-ethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(2-ethylpiperidin-1-yl)ethanone
PubChem CID4014587
Molecular FormulaC13H18ClNOS
Molecular Weight271.81 g/mol
Exact Mass271.08
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1CC(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H18ClNOS/c1-2-10-5-3-4-8-15(10)9-11(16)12-6-7-13(14)17-12/h6-7,10H,2-5,8-9H2,1H3
InChIKeyYEXVPVSIPDASRF-UHFFFAOYSA-N
XLogP3.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-chlorothiophen-2-yl)-2-(2-ethylpiperidin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-chlorothiophen-2-yl)-2-(2-ethylazepan-1-yl)ethanone
CID 104690747
1-(5-chlorothiophen-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanone
CID 62123229
1-(2-chlorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone
CID 3325837
1-(5-ethylthiophen-2-yl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62050766
2-(2-ethylazepan-1-yl)-1-phenylethanone
CID 104690677
1-(5-chlorothiophen-2-yl)-2-(4-cyclopentylpiperazin-1-yl)ethanone
CID 62369289
1-(3-bromothiophen-2-yl)-2-(2-ethylpiperidin-1-yl)ethanone
CID 43795192
1-(2,5-difluorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone
CID 43219345
[2-(chloromethyl)piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone
CID 63395374
1-(5-chlorothiophen-2-yl)-2-(4-propylpiperidin-1-yl)ethanone
CID 62205766
1-[1-(5-chlorothiophene-2-carbonyl)piperidin-2-yl]propan-2-one
CID 79549466
1-(2-ethylazepan-1-yl)butan-2-one
CID 104690718

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(2-ethylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(2-ethylpiperidin-1-yl)ethanone (CID 4014587) is 1-(5-chlorothiophen-2-yl)-2-(2-ethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(2-ethylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(2-ethylpiperidin-1-yl)ethanone is CCC1CCCCN1CC(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(2-ethylpiperidin-1-yl)ethanone?
The InChIKey is YEXVPVSIPDASRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNOS/c1-2-10-5-3-4-8-15(10)9-11(16)12-6-7-13(14)17-12/h6-7,10H,2-5,8-9H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(2-ethylpiperidin-1-yl)ethanone?
1-(5-chlorothiophen-2-yl)-2-(2-ethylpiperidin-1-yl)ethanone has a molecular weight of 271.81 g/mol, XLogP of 3.85, 4 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-ethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 4014587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).