2-[(3-methylphenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one

C23H25N3O — CID 1472491

IUPAC2-[(3-methylphenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one
SMILESCc1cccc(Cn2nc(-c3ccccc3)c(N3CCCCC3)cc2=O)c1
InChIInChI=1S/C23H25N3O/c1-18-9-8-10-19(15-18)17-26-22(27)16-21(25-13-6-3-7-14-25)23(24-26)20-11-4-2-5-12-20/h2,4-5,8-12,15-16H,3,6-7,13-14,17H2,1H3
InChIKeySCORYRHMZIXGBR-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.26
Rot. Bonds4

About 2-[(3-methylphenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one

2-[(3-methylphenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one (PubChem CID 1472491) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-[(3-methylphenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[(3-methylphenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one
PubChem CID1472491
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name2-[(3-methylphenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one
SMILESCc1cccc(Cn2nc(-c3ccccc3)c(N3CCCCC3)cc2=O)c1
InChIInChI=1S/C23H25N3O/c1-18-9-8-10-19(15-18)17-26-22(27)16-21(25-13-6-3-7-14-25)23(24-26)20-11-4-2-5-12-20/h2,4-5,8-12,15-16H,3,6-7,13-14,17H2,1H3
InChIKeySCORYRHMZIXGBR-UHFFFAOYSA-N
XLogP4.26
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one?
The IUPAC name of 2-[(3-methylphenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one (CID 1472491) is 2-[(3-methylphenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[(3-methylphenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[(3-methylphenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one is Cc1cccc(Cn2nc(-c3ccccc3)c(N3CCCCC3)cc2=O)c1.
What is the InChIKey of 2-[(3-methylphenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one?
The InChIKey is SCORYRHMZIXGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-18-9-8-10-19(15-18)17-26-22(27)16-21(25-13-6-3-7-14-25)23(24-26)20-11-4-2-5-12-20/h2,4-5,8-12,15-16H,3,6-7,13-14,17H2,1H3.
What are the key properties of 2-[(3-methylphenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one?
2-[(3-methylphenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one has a molecular weight of 359.47 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one is sourced from PubChem (CID 1472491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).