6-(4-phenylphenyl)-2-piperidin-4-yl-4,5-dihydropyridazin-3-one

C21H23N3O — CID 154867749

IUPAC6-(4-phenylphenyl)-2-piperidin-4-yl-4,5-dihydropyridazin-3-one
SMILESO=C1CCC(c2ccc(-c3ccccc3)cc2)=NN1C1CCNCC1
InChIInChI=1S/C21H23N3O/c25-21-11-10-20(23-24(21)19-12-14-22-15-13-19)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9,19,22H,10-15H2
InChIKeyLPYAQULEIKOLCE-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.43
Rot. Bonds3

About 6-(4-phenylphenyl)-2-piperidin-4-yl-4,5-dihydropyridazin-3-one

6-(4-phenylphenyl)-2-piperidin-4-yl-4,5-dihydropyridazin-3-one (PubChem CID 154867749) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 6-(4-phenylphenyl)-2-piperidin-4-yl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-(4-phenylphenyl)-2-piperidin-4-yl-4,5-dihydropyridazin-3-one
PubChem CID154867749
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name6-(4-phenylphenyl)-2-piperidin-4-yl-4,5-dihydropyridazin-3-one
SMILESO=C1CCC(c2ccc(-c3ccccc3)cc2)=NN1C1CCNCC1
InChIInChI=1S/C21H23N3O/c25-21-11-10-20(23-24(21)19-12-14-22-15-13-19)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9,19,22H,10-15H2
InChIKeyLPYAQULEIKOLCE-UHFFFAOYSA-N
XLogP3.43
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-phenylphenyl)-2-piperidin-4-yl-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-(4-phenylphenyl)-2-piperidin-4-yl-4,5-dihydropyridazin-3-one (CID 154867749) is 6-(4-phenylphenyl)-2-piperidin-4-yl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-(4-phenylphenyl)-2-piperidin-4-yl-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-(4-phenylphenyl)-2-piperidin-4-yl-4,5-dihydropyridazin-3-one is O=C1CCC(c2ccc(-c3ccccc3)cc2)=NN1C1CCNCC1.
What is the InChIKey of 6-(4-phenylphenyl)-2-piperidin-4-yl-4,5-dihydropyridazin-3-one?
The InChIKey is LPYAQULEIKOLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c25-21-11-10-20(23-24(21)19-12-14-22-15-13-19)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9,19,22H,10-15H2.
What are the key properties of 6-(4-phenylphenyl)-2-piperidin-4-yl-4,5-dihydropyridazin-3-one?
6-(4-phenylphenyl)-2-piperidin-4-yl-4,5-dihydropyridazin-3-one has a molecular weight of 333.44 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylphenyl)-2-piperidin-4-yl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 154867749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).