2-(2-piperidin-1-ylethyl)-6-thiophen-2-ylpyridazin-3-one

C15H19N3OS — CID 7659593

IUPAC2-(2-piperidin-1-ylethyl)-6-thiophen-2-ylpyridazin-3-one
SMILESO=c1ccc(-c2cccs2)nn1CCN1CCCCC1
InChIInChI=1S/C15H19N3OS/c19-15-7-6-13(14-5-4-12-20-14)16-18(15)11-10-17-8-2-1-3-9-17/h4-7,12H,1-3,8-11H2
InChIKeyVGGRLVLDVRNAEI-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.46
Rot. Bonds4

About 2-(2-piperidin-1-ylethyl)-6-thiophen-2-ylpyridazin-3-one

2-(2-piperidin-1-ylethyl)-6-thiophen-2-ylpyridazin-3-one (PubChem CID 7659593) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-(2-piperidin-1-ylethyl)-6-thiophen-2-ylpyridazin-3-one.

Molecular Properties

Compound Name2-(2-piperidin-1-ylethyl)-6-thiophen-2-ylpyridazin-3-one
PubChem CID7659593
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-(2-piperidin-1-ylethyl)-6-thiophen-2-ylpyridazin-3-one
SMILESO=c1ccc(-c2cccs2)nn1CCN1CCCCC1
InChIInChI=1S/C15H19N3OS/c19-15-7-6-13(14-5-4-12-20-14)16-18(15)11-10-17-8-2-1-3-9-17/h4-7,12H,1-3,8-11H2
InChIKeyVGGRLVLDVRNAEI-UHFFFAOYSA-N
XLogP2.46
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-1-ylethyl)-6-thiophen-2-ylpyridazin-3-one?
The IUPAC name of 2-(2-piperidin-1-ylethyl)-6-thiophen-2-ylpyridazin-3-one (CID 7659593) is 2-(2-piperidin-1-ylethyl)-6-thiophen-2-ylpyridazin-3-one.
What is the SMILES notation for 2-(2-piperidin-1-ylethyl)-6-thiophen-2-ylpyridazin-3-one?
The canonical SMILES for 2-(2-piperidin-1-ylethyl)-6-thiophen-2-ylpyridazin-3-one is O=c1ccc(-c2cccs2)nn1CCN1CCCCC1.
What is the InChIKey of 2-(2-piperidin-1-ylethyl)-6-thiophen-2-ylpyridazin-3-one?
The InChIKey is VGGRLVLDVRNAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c19-15-7-6-13(14-5-4-12-20-14)16-18(15)11-10-17-8-2-1-3-9-17/h4-7,12H,1-3,8-11H2.
What are the key properties of 2-(2-piperidin-1-ylethyl)-6-thiophen-2-ylpyridazin-3-one?
2-(2-piperidin-1-ylethyl)-6-thiophen-2-ylpyridazin-3-one has a molecular weight of 289.40 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-1-ylethyl)-6-thiophen-2-ylpyridazin-3-one is sourced from PubChem (CID 7659593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).