2-thiophen-3-yl-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone

C15H17NOS2 — CID 71807057

IUPAC2-thiophen-3-yl-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone
SMILESO=C(Cc1ccsc1)N1CCC(c2cccs2)CC1
InChIInChI=1S/C15H17NOS2/c17-15(10-12-5-9-18-11-12)16-6-3-13(4-7-16)14-2-1-8-19-14/h1-2,5,8-9,11,13H,3-4,6-7,10H2
InChIKeyZJSDIOUTAPMDIR-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.76
Rot. Bonds3

About 2-thiophen-3-yl-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone

2-thiophen-3-yl-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone (PubChem CID 71807057) has the molecular formula C15H17NOS2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-thiophen-3-yl-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-thiophen-3-yl-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone
PubChem CID71807057
Molecular FormulaC15H17NOS2
Molecular Weight291.44 g/mol
Exact Mass291.08
IUPAC Name2-thiophen-3-yl-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone
SMILESO=C(Cc1ccsc1)N1CCC(c2cccs2)CC1
InChIInChI=1S/C15H17NOS2/c17-15(10-12-5-9-18-11-12)16-6-3-13(4-7-16)14-2-1-8-19-14/h1-2,5,8-9,11,13H,3-4,6-7,10H2
InChIKeyZJSDIOUTAPMDIR-UHFFFAOYSA-N
XLogP3.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-3-yl-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-thiophen-3-yl-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone (CID 71807057) is 2-thiophen-3-yl-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-thiophen-3-yl-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-thiophen-3-yl-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone is O=C(Cc1ccsc1)N1CCC(c2cccs2)CC1.
What is the InChIKey of 2-thiophen-3-yl-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone?
The InChIKey is ZJSDIOUTAPMDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS2/c17-15(10-12-5-9-18-11-12)16-6-3-13(4-7-16)14-2-1-8-19-14/h1-2,5,8-9,11,13H,3-4,6-7,10H2.
What are the key properties of 2-thiophen-3-yl-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone?
2-thiophen-3-yl-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone has a molecular weight of 291.44 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-3-yl-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 71807057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).