2-benzyl-6-phenyl-5-piperidin-1-ylpyridazin-3-one

C22H23N3O — CID 1472478

IUPAC2-benzyl-6-phenyl-5-piperidin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCCCC2)c(-c2ccccc2)nn1Cc1ccccc1
InChIInChI=1S/C22H23N3O/c26-21-16-20(24-14-8-3-9-15-24)22(19-12-6-2-7-13-19)23-25(21)17-18-10-4-1-5-11-18/h1-2,4-7,10-13,16H,3,8-9,14-15,17H2
InChIKeyUAYRJCSIJIOXRJ-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.95
Rot. Bonds4

About 2-benzyl-6-phenyl-5-piperidin-1-ylpyridazin-3-one

2-benzyl-6-phenyl-5-piperidin-1-ylpyridazin-3-one (PubChem CID 1472478) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-benzyl-6-phenyl-5-piperidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-6-phenyl-5-piperidin-1-ylpyridazin-3-one
PubChem CID1472478
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name2-benzyl-6-phenyl-5-piperidin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCCCC2)c(-c2ccccc2)nn1Cc1ccccc1
InChIInChI=1S/C22H23N3O/c26-21-16-20(24-14-8-3-9-15-24)22(19-12-6-2-7-13-19)23-25(21)17-18-10-4-1-5-11-18/h1-2,4-7,10-13,16H,3,8-9,14-15,17H2
InChIKeyUAYRJCSIJIOXRJ-UHFFFAOYSA-N
XLogP3.95
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-phenyl-5-piperidin-1-ylpyridazin-3-one?
The IUPAC name of 2-benzyl-6-phenyl-5-piperidin-1-ylpyridazin-3-one (CID 1472478) is 2-benzyl-6-phenyl-5-piperidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-benzyl-6-phenyl-5-piperidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-benzyl-6-phenyl-5-piperidin-1-ylpyridazin-3-one is O=c1cc(N2CCCCC2)c(-c2ccccc2)nn1Cc1ccccc1.
What is the InChIKey of 2-benzyl-6-phenyl-5-piperidin-1-ylpyridazin-3-one?
The InChIKey is UAYRJCSIJIOXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c26-21-16-20(24-14-8-3-9-15-24)22(19-12-6-2-7-13-19)23-25(21)17-18-10-4-1-5-11-18/h1-2,4-7,10-13,16H,3,8-9,14-15,17H2.
What are the key properties of 2-benzyl-6-phenyl-5-piperidin-1-ylpyridazin-3-one?
2-benzyl-6-phenyl-5-piperidin-1-ylpyridazin-3-one has a molecular weight of 345.45 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-phenyl-5-piperidin-1-ylpyridazin-3-one is sourced from PubChem (CID 1472478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).