2-methoxy-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone

C12H17NO2S — CID 71786835

IUPAC2-methoxy-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone
SMILESCOCC(=O)N1CCC(c2cccs2)CC1
InChIInChI=1S/C12H17NO2S/c1-15-9-12(14)13-6-4-10(5-7-13)11-3-2-8-16-11/h2-3,8,10H,4-7,9H2,1H3
InChIKeyKCBOIPVHLWQUTH-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.10
Rot. Bonds3

About 2-methoxy-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone

2-methoxy-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone (PubChem CID 71786835) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-methoxy-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-methoxy-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone
PubChem CID71786835
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name2-methoxy-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone
SMILESCOCC(=O)N1CCC(c2cccs2)CC1
InChIInChI=1S/C12H17NO2S/c1-15-9-12(14)13-6-4-10(5-7-13)11-3-2-8-16-11/h2-3,8,10H,4-7,9H2,1H3
InChIKeyKCBOIPVHLWQUTH-UHFFFAOYSA-N
XLogP2.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-methoxy-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone (CID 71786835) is 2-methoxy-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-methoxy-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-methoxy-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone is COCC(=O)N1CCC(c2cccs2)CC1.
What is the InChIKey of 2-methoxy-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone?
The InChIKey is KCBOIPVHLWQUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-15-9-12(14)13-6-4-10(5-7-13)11-3-2-8-16-11/h2-3,8,10H,4-7,9H2,1H3.
What are the key properties of 2-methoxy-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone?
2-methoxy-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone has a molecular weight of 239.34 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 71786835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).