1-(4-pyridin-2-ylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one

C16H19N3OS — CID 9119477

IUPAC1-(4-pyridin-2-ylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one
SMILESO=C(CCc1cccs1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H19N3OS/c20-16(7-6-14-4-3-13-21-14)19-11-9-18(10-12-19)15-5-1-2-8-17-15/h1-5,8,13H,6-7,9-12H2
InChIKeyRKSMYHCKZBSJQH-UHFFFAOYSA-N
MW301.41 g/mol
LogP2.42
Rot. Bonds4

About 1-(4-pyridin-2-ylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one

1-(4-pyridin-2-ylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one (PubChem CID 9119477) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is 1-(4-pyridin-2-ylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-pyridin-2-ylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one
PubChem CID9119477
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC Name1-(4-pyridin-2-ylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one
SMILESO=C(CCc1cccs1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H19N3OS/c20-16(7-6-14-4-3-13-21-14)19-11-9-18(10-12-19)15-5-1-2-8-17-15/h1-5,8,13H,6-7,9-12H2
InChIKeyRKSMYHCKZBSJQH-UHFFFAOYSA-N
XLogP2.42
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-pyridin-2-ylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one 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-2-ylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one?
The IUPAC name of 1-(4-pyridin-2-ylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one (CID 9119477) is 1-(4-pyridin-2-ylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 1-(4-pyridin-2-ylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for 1-(4-pyridin-2-ylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one is O=C(CCc1cccs1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-(4-pyridin-2-ylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one?
The InChIKey is RKSMYHCKZBSJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c20-16(7-6-14-4-3-13-21-14)19-11-9-18(10-12-19)15-5-1-2-8-17-15/h1-5,8,13H,6-7,9-12H2.
What are the key properties of 1-(4-pyridin-2-ylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one?
1-(4-pyridin-2-ylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one has a molecular weight of 301.41 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyridin-2-ylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 9119477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).