6-phenyl-2-(piperidin-4-ylmethyl)pyridazin-3-one

C16H19N3O — CID 66510167

IUPAC6-phenyl-2-(piperidin-4-ylmethyl)pyridazin-3-one
SMILESO=c1ccc(-c2ccccc2)nn1CC1CCNCC1
InChIInChI=1S/C16H19N3O/c20-16-7-6-15(14-4-2-1-3-5-14)18-19(16)12-13-8-10-17-11-9-13/h1-7,13,17H,8-12H2
InChIKeyVRYPVCLQHHAILH-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.91
Rot. Bonds3

About 6-phenyl-2-(piperidin-4-ylmethyl)pyridazin-3-one

6-phenyl-2-(piperidin-4-ylmethyl)pyridazin-3-one (PubChem CID 66510167) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 6-phenyl-2-(piperidin-4-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-phenyl-2-(piperidin-4-ylmethyl)pyridazin-3-one
PubChem CID66510167
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name6-phenyl-2-(piperidin-4-ylmethyl)pyridazin-3-one
SMILESO=c1ccc(-c2ccccc2)nn1CC1CCNCC1
InChIInChI=1S/C16H19N3O/c20-16-7-6-15(14-4-2-1-3-5-14)18-19(16)12-13-8-10-17-11-9-13/h1-7,13,17H,8-12H2
InChIKeyVRYPVCLQHHAILH-UHFFFAOYSA-N
XLogP1.91
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-(piperidin-4-ylmethyl)pyridazin-3-one?
The IUPAC name of 6-phenyl-2-(piperidin-4-ylmethyl)pyridazin-3-one (CID 66510167) is 6-phenyl-2-(piperidin-4-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 6-phenyl-2-(piperidin-4-ylmethyl)pyridazin-3-one?
The canonical SMILES for 6-phenyl-2-(piperidin-4-ylmethyl)pyridazin-3-one is O=c1ccc(-c2ccccc2)nn1CC1CCNCC1.
What is the InChIKey of 6-phenyl-2-(piperidin-4-ylmethyl)pyridazin-3-one?
The InChIKey is VRYPVCLQHHAILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c20-16-7-6-15(14-4-2-1-3-5-14)18-19(16)12-13-8-10-17-11-9-13/h1-7,13,17H,8-12H2.
What are the key properties of 6-phenyl-2-(piperidin-4-ylmethyl)pyridazin-3-one?
6-phenyl-2-(piperidin-4-ylmethyl)pyridazin-3-one has a molecular weight of 269.35 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-(piperidin-4-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 66510167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).