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

C16H20N4O — CID 153373072

IUPAC2-(2-piperidin-1-ylethyl)-6-pyridin-2-ylpyridazin-3-one
SMILESO=c1ccc(-c2ccccn2)nn1CCN1CCCCC1
InChIInChI=1S/C16H20N4O/c21-16-8-7-15(14-6-2-3-9-17-14)18-20(16)13-12-19-10-4-1-5-11-19/h2-3,6-9H,1,4-5,10-13H2
InChIKeyRUISYZAATOQKHZ-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.79
Rot. Bonds4

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

2-(2-piperidin-1-ylethyl)-6-pyridin-2-ylpyridazin-3-one (PubChem CID 153373072) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(2-piperidin-1-ylethyl)-6-pyridin-2-ylpyridazin-3-one.

Molecular Properties

Compound Name2-(2-piperidin-1-ylethyl)-6-pyridin-2-ylpyridazin-3-one
PubChem CID153373072
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-(2-piperidin-1-ylethyl)-6-pyridin-2-ylpyridazin-3-one
SMILESO=c1ccc(-c2ccccn2)nn1CCN1CCCCC1
InChIInChI=1S/C16H20N4O/c21-16-8-7-15(14-6-2-3-9-17-14)18-20(16)13-12-19-10-4-1-5-11-19/h2-3,6-9H,1,4-5,10-13H2
InChIKeyRUISYZAATOQKHZ-UHFFFAOYSA-N
XLogP1.79
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.79
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-pyridin-2-ylpyridazin-3-one?
The IUPAC name of 2-(2-piperidin-1-ylethyl)-6-pyridin-2-ylpyridazin-3-one (CID 153373072) is 2-(2-piperidin-1-ylethyl)-6-pyridin-2-ylpyridazin-3-one.
What is the SMILES notation for 2-(2-piperidin-1-ylethyl)-6-pyridin-2-ylpyridazin-3-one?
The canonical SMILES for 2-(2-piperidin-1-ylethyl)-6-pyridin-2-ylpyridazin-3-one is O=c1ccc(-c2ccccn2)nn1CCN1CCCCC1.
What is the InChIKey of 2-(2-piperidin-1-ylethyl)-6-pyridin-2-ylpyridazin-3-one?
The InChIKey is RUISYZAATOQKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c21-16-8-7-15(14-6-2-3-9-17-14)18-20(16)13-12-19-10-4-1-5-11-19/h2-3,6-9H,1,4-5,10-13H2.
What are the key properties of 2-(2-piperidin-1-ylethyl)-6-pyridin-2-ylpyridazin-3-one?
2-(2-piperidin-1-ylethyl)-6-pyridin-2-ylpyridazin-3-one has a molecular weight of 284.36 g/mol, XLogP of 1.79, 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-pyridin-2-ylpyridazin-3-one is sourced from PubChem (CID 153373072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).