2-(2-ethylpiperidin-1-yl)-1-thiophen-2-ylethanone

C13H19NOS — CID 3550359

IUPAC2-(2-ethylpiperidin-1-yl)-1-thiophen-2-ylethanone
SMILESCCC1CCCCN1CC(=O)c1cccs1
InChIInChI=1S/C13H19NOS/c1-2-11-6-3-4-8-14(11)10-12(15)13-7-5-9-16-13/h5,7,9,11H,2-4,6,8,10H2,1H3
InChIKeyQEDDHLQYEFYPLT-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.20
Rot. Bonds4

About 2-(2-ethylpiperidin-1-yl)-1-thiophen-2-ylethanone

2-(2-ethylpiperidin-1-yl)-1-thiophen-2-ylethanone (PubChem CID 3550359) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-(2-ethylpiperidin-1-yl)-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(2-ethylpiperidin-1-yl)-1-thiophen-2-ylethanone
PubChem CID3550359
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name2-(2-ethylpiperidin-1-yl)-1-thiophen-2-ylethanone
SMILESCCC1CCCCN1CC(=O)c1cccs1
InChIInChI=1S/C13H19NOS/c1-2-11-6-3-4-8-14(11)10-12(15)13-7-5-9-16-13/h5,7,9,11H,2-4,6,8,10H2,1H3
InChIKeyQEDDHLQYEFYPLT-UHFFFAOYSA-N
XLogP3.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpiperidin-1-yl)-1-thiophen-2-ylethanone?
The IUPAC name of 2-(2-ethylpiperidin-1-yl)-1-thiophen-2-ylethanone (CID 3550359) is 2-(2-ethylpiperidin-1-yl)-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-(2-ethylpiperidin-1-yl)-1-thiophen-2-ylethanone?
The canonical SMILES for 2-(2-ethylpiperidin-1-yl)-1-thiophen-2-ylethanone is CCC1CCCCN1CC(=O)c1cccs1.
What is the InChIKey of 2-(2-ethylpiperidin-1-yl)-1-thiophen-2-ylethanone?
The InChIKey is QEDDHLQYEFYPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-2-11-6-3-4-8-14(11)10-12(15)13-7-5-9-16-13/h5,7,9,11H,2-4,6,8,10H2,1H3.
What are the key properties of 2-(2-ethylpiperidin-1-yl)-1-thiophen-2-ylethanone?
2-(2-ethylpiperidin-1-yl)-1-thiophen-2-ylethanone has a molecular weight of 237.37 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpiperidin-1-yl)-1-thiophen-2-ylethanone is sourced from PubChem (CID 3550359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).