1-(5-chlorothiophen-2-yl)-2-(4-methoxypiperidin-1-yl)ethanone

C12H16ClNO2S — CID 43796258

IUPAC1-(5-chlorothiophen-2-yl)-2-(4-methoxypiperidin-1-yl)ethanone
SMILESCOC1CCN(CC(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C12H16ClNO2S/c1-16-9-4-6-14(7-5-9)8-10(15)11-2-3-12(13)17-11/h2-3,9H,4-8H2,1H3
InChIKeyUGUJOYKVGOASMZ-UHFFFAOYSA-N
MW273.78 g/mol
LogP2.69
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-2-(4-methoxypiperidin-1-yl)ethanone

1-(5-chlorothiophen-2-yl)-2-(4-methoxypiperidin-1-yl)ethanone (PubChem CID 43796258) has the molecular formula C12H16ClNO2S and a molecular weight of 273.78 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(4-methoxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(4-methoxypiperidin-1-yl)ethanone
PubChem CID43796258
Molecular FormulaC12H16ClNO2S
Molecular Weight273.78 g/mol
Exact Mass273.06
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(4-methoxypiperidin-1-yl)ethanone
SMILESCOC1CCN(CC(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C12H16ClNO2S/c1-16-9-4-6-14(7-5-9)8-10(15)11-2-3-12(13)17-11/h2-3,9H,4-8H2,1H3
InChIKeyUGUJOYKVGOASMZ-UHFFFAOYSA-N
XLogP2.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(5-chlorothiophen-2-yl)-2-(4-methoxypiperidin-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

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(4-methoxypiperidin-1-yl)ethanone?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(4-methoxypiperidin-1-yl)ethanone (CID 43796258) is 1-(5-chlorothiophen-2-yl)-2-(4-methoxypiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(4-methoxypiperidin-1-yl)ethanone?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(4-methoxypiperidin-1-yl)ethanone is COC1CCN(CC(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(4-methoxypiperidin-1-yl)ethanone?
The InChIKey is UGUJOYKVGOASMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2S/c1-16-9-4-6-14(7-5-9)8-10(15)11-2-3-12(13)17-11/h2-3,9H,4-8H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(4-methoxypiperidin-1-yl)ethanone?
1-(5-chlorothiophen-2-yl)-2-(4-methoxypiperidin-1-yl)ethanone has a molecular weight of 273.78 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-(4-methoxypiperidin-1-yl)ethanone is sourced from PubChem (CID 43796258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).