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

C22H22ClN3O — CID 1472483

IUPAC2-[(2-chlorophenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCCCC2)c(-c2ccccc2)nn1Cc1ccccc1Cl
InChIInChI=1S/C22H22ClN3O/c23-19-12-6-5-11-18(19)16-26-21(27)15-20(25-13-7-2-8-14-25)22(24-26)17-9-3-1-4-10-17/h1,3-6,9-12,15H,2,7-8,13-14,16H2
InChIKeyBVJHTDLNUVBJHN-UHFFFAOYSA-N
MW379.89 g/mol
LogP4.60
Rot. Bonds4

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

2-[(2-chlorophenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one (PubChem CID 1472483) has the molecular formula C22H22ClN3O and a molecular weight of 379.89 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one
PubChem CID1472483
Molecular FormulaC22H22ClN3O
Molecular Weight379.89 g/mol
Exact Mass379.15
IUPAC Name2-[(2-chlorophenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCCCC2)c(-c2ccccc2)nn1Cc1ccccc1Cl
InChIInChI=1S/C22H22ClN3O/c23-19-12-6-5-11-18(19)16-26-21(27)15-20(25-13-7-2-8-14-25)22(24-26)17-9-3-1-4-10-17/h1,3-6,9-12,15H,2,7-8,13-14,16H2
InChIKeyBVJHTDLNUVBJHN-UHFFFAOYSA-N
XLogP4.60
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(4-chlorobenzyl)-6-phenyl-3(2H)-pyridazinone
CID 1472475
2-(2-chloro-6-fluorobenzyl)-6-(4-methylphenyl)pyridazin-3(2H)-one
CID 7662570
2-(2-chloro-4-fluorobenzyl)-6-phenylpyridazin-3(2H)-one
CID 16014547
2-benzyl-6-phenyl-5-piperidino-3(2H)-pyridazinone
CID 1472478
2-(4-fluorobenzyl)-6-phenyl-5-piperidino-3(2H)-pyridazinone
CID 1472487
2-(3-methylbenzyl)-6-phenyl-5-piperidino-3(2H)-pyridazinone
CID 1472491
2-(3-fluorobenzyl)-6-phenyl-5-piperidino-3(2H)-pyridazinone
CID 1472492
2-(2,4-dichlorobenzyl)-6-phenyl-5-piperidino-3(2H)-pyridazinone
CID 3662076
2-(2,6-dichlorobenzyl)-5,6-dihydrobenzo[h]cinnolin-3(2H)-one
CID 3782055
2-(4-chlorobenzyl)-5,6-dihydrobenzo[h]cinnolin-3(2H)-one
CID 3809138
2-(2,6-dichlorobenzyl)-6-phenyl-5-piperidino-3(2H)-pyridazinone
CID 3815334
2-(2,4-dichlorobenzyl)-5,6-dihydrobenzo[h]cinnolin-3(2H)-one
CID 3834807

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one (CID 1472483) is 2-[(2-chlorophenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one is O=c1cc(N2CCCCC2)c(-c2ccccc2)nn1Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one?
The InChIKey is BVJHTDLNUVBJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O/c23-19-12-6-5-11-18(19)16-26-21(27)15-20(25-13-7-2-8-14-25)22(24-26)17-9-3-1-4-10-17/h1,3-6,9-12,15H,2,7-8,13-14,16H2.
What are the key properties of 2-[(2-chlorophenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one?
2-[(2-chlorophenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one has a molecular weight of 379.89 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one is sourced from PubChem (CID 1472483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).