[4-(pyridin-3-ylmethyl)piperazin-1-yl]-thiophen-2-ylmethanone

C15H17N3OS — CID 652172

IUPAC[4-(pyridin-3-ylmethyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C15H17N3OS/c19-15(14-4-2-10-20-14)18-8-6-17(7-9-18)12-13-3-1-5-16-11-13/h1-5,10-11H,6-9,12H2
InChIKeyWTBBRSIQTLSVGK-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.10
Rot. Bonds3

About [4-(pyridin-3-ylmethyl)piperazin-1-yl]-thiophen-2-ylmethanone

[4-(pyridin-3-ylmethyl)piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 652172) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is [4-(pyridin-3-ylmethyl)piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(pyridin-3-ylmethyl)piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID652172
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name[4-(pyridin-3-ylmethyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C15H17N3OS/c19-15(14-4-2-10-20-14)18-8-6-17(7-9-18)12-13-3-1-5-16-11-13/h1-5,10-11H,6-9,12H2
InChIKeyWTBBRSIQTLSVGK-UHFFFAOYSA-N
XLogP2.10
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(pyridin-3-ylmethyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(pyridin-3-ylmethyl)piperazin-1-yl]-thiophen-2-ylmethanone (CID 652172) is [4-(pyridin-3-ylmethyl)piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(pyridin-3-ylmethyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(pyridin-3-ylmethyl)piperazin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCN(Cc2cccnc2)CC1.
What is the InChIKey of [4-(pyridin-3-ylmethyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is WTBBRSIQTLSVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c19-15(14-4-2-10-20-14)18-8-6-17(7-9-18)12-13-3-1-5-16-11-13/h1-5,10-11H,6-9,12H2.
What are the key properties of [4-(pyridin-3-ylmethyl)piperazin-1-yl]-thiophen-2-ylmethanone?
[4-(pyridin-3-ylmethyl)piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 287.39 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyridin-3-ylmethyl)piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 652172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).