[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]-thiophen-3-ylmethanone

C17H20N2O2S — CID 22443635

IUPAC[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]-thiophen-3-ylmethanone
SMILESO=C(c1ccc(OCCN2CCCCC2)nc1)c1ccsc1
InChIInChI=1S/C17H20N2O2S/c20-17(15-6-11-22-13-15)14-4-5-16(18-12-14)21-10-9-19-7-2-1-3-8-19/h4-6,11-13H,1-3,7-10H2
InChIKeyBIERABBFZKDRML-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.24
Rot. Bonds6

About [6-(2-piperidin-1-ylethoxy)-3-pyridinyl]-thiophen-3-ylmethanone

[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]-thiophen-3-ylmethanone (PubChem CID 22443635) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is [6-(2-piperidin-1-ylethoxy)-3-pyridinyl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]-thiophen-3-ylmethanone
PubChem CID22443635
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]-thiophen-3-ylmethanone
SMILESO=C(c1ccc(OCCN2CCCCC2)nc1)c1ccsc1
InChIInChI=1S/C17H20N2O2S/c20-17(15-6-11-22-13-15)14-4-5-16(18-12-14)21-10-9-19-7-2-1-3-8-19/h4-6,11-13H,1-3,7-10H2
InChIKeyBIERABBFZKDRML-UHFFFAOYSA-N
XLogP3.24
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(2-piperidin-1-ylethoxy)-3-pyridinyl]-thiophen-3-ylmethanone?
The IUPAC name of [6-(2-piperidin-1-ylethoxy)-3-pyridinyl]-thiophen-3-ylmethanone (CID 22443635) is [6-(2-piperidin-1-ylethoxy)-3-pyridinyl]-thiophen-3-ylmethanone.
What is the SMILES notation for [6-(2-piperidin-1-ylethoxy)-3-pyridinyl]-thiophen-3-ylmethanone?
The canonical SMILES for [6-(2-piperidin-1-ylethoxy)-3-pyridinyl]-thiophen-3-ylmethanone is O=C(c1ccc(OCCN2CCCCC2)nc1)c1ccsc1.
What is the InChIKey of [6-(2-piperidin-1-ylethoxy)-3-pyridinyl]-thiophen-3-ylmethanone?
The InChIKey is BIERABBFZKDRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c20-17(15-6-11-22-13-15)14-4-5-16(18-12-14)21-10-9-19-7-2-1-3-8-19/h4-6,11-13H,1-3,7-10H2.
What are the key properties of [6-(2-piperidin-1-ylethoxy)-3-pyridinyl]-thiophen-3-ylmethanone?
[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]-thiophen-3-ylmethanone has a molecular weight of 316.43 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-piperidin-1-ylethoxy)-3-pyridinyl]-thiophen-3-ylmethanone is sourced from PubChem (CID 22443635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).