1-(4-pyridin-4-ylpiperidin-1-yl)-2-thiophen-3-ylethanone

C16H18N2OS — CID 70735787

IUPAC1-(4-pyridin-4-ylpiperidin-1-yl)-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C16H18N2OS/c19-16(11-13-5-10-20-12-13)18-8-3-15(4-9-18)14-1-6-17-7-2-14/h1-2,5-7,10,12,15H,3-4,8-9,11H2
InChIKeyIGWYJZBUCHUKTQ-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.09
Rot. Bonds3

About 1-(4-pyridin-4-ylpiperidin-1-yl)-2-thiophen-3-ylethanone

1-(4-pyridin-4-ylpiperidin-1-yl)-2-thiophen-3-ylethanone (PubChem CID 70735787) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-(4-pyridin-4-ylpiperidin-1-yl)-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-(4-pyridin-4-ylpiperidin-1-yl)-2-thiophen-3-ylethanone
PubChem CID70735787
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name1-(4-pyridin-4-ylpiperidin-1-yl)-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C16H18N2OS/c19-16(11-13-5-10-20-12-13)18-8-3-15(4-9-18)14-1-6-17-7-2-14/h1-2,5-7,10,12,15H,3-4,8-9,11H2
InChIKeyIGWYJZBUCHUKTQ-UHFFFAOYSA-N
XLogP3.09
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-pyridin-4-ylpiperidin-1-yl)-2-thiophen-3-ylethanone 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-(4-pyridin-4-ylpiperidin-1-yl)-2-thiophen-3-ylethanone?
The IUPAC name of 1-(4-pyridin-4-ylpiperidin-1-yl)-2-thiophen-3-ylethanone (CID 70735787) is 1-(4-pyridin-4-ylpiperidin-1-yl)-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-(4-pyridin-4-ylpiperidin-1-yl)-2-thiophen-3-ylethanone?
The canonical SMILES for 1-(4-pyridin-4-ylpiperidin-1-yl)-2-thiophen-3-ylethanone is O=C(Cc1ccsc1)N1CCC(c2ccncc2)CC1.
What is the InChIKey of 1-(4-pyridin-4-ylpiperidin-1-yl)-2-thiophen-3-ylethanone?
The InChIKey is IGWYJZBUCHUKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c19-16(11-13-5-10-20-12-13)18-8-3-15(4-9-18)14-1-6-17-7-2-14/h1-2,5-7,10,12,15H,3-4,8-9,11H2.
What are the key properties of 1-(4-pyridin-4-ylpiperidin-1-yl)-2-thiophen-3-ylethanone?
1-(4-pyridin-4-ylpiperidin-1-yl)-2-thiophen-3-ylethanone has a molecular weight of 286.40 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyridin-4-ylpiperidin-1-yl)-2-thiophen-3-ylethanone is sourced from PubChem (CID 70735787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).