2-[(4-chlorophenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one

C22H22ClN3O — CID 1472480

IUPAC2-[(4-chlorophenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCCCC2)c(-c2ccccc2)nn1Cc1ccc(Cl)cc1
InChIInChI=1S/C22H22ClN3O/c23-19-11-9-17(10-12-19)16-26-21(27)15-20(25-13-5-2-6-14-25)22(24-26)18-7-3-1-4-8-18/h1,3-4,7-12,15H,2,5-6,13-14,16H2
InChIKeyJQIGIYGSOWUONU-UHFFFAOYSA-N
MW379.89 g/mol
LogP4.60
Rot. Bonds4

About 2-[(4-chlorophenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one

2-[(4-chlorophenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one (PubChem CID 1472480) has the molecular formula C22H22ClN3O and a molecular weight of 379.89 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one
PubChem CID1472480
Molecular FormulaC22H22ClN3O
Molecular Weight379.89 g/mol
Exact Mass379.15
IUPAC Name2-[(4-chlorophenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCCCC2)c(-c2ccccc2)nn1Cc1ccc(Cl)cc1
InChIInChI=1S/C22H22ClN3O/c23-19-11-9-17(10-12-19)16-26-21(27)15-20(25-13-5-2-6-14-25)22(24-26)18-7-3-1-4-8-18/h1,3-4,7-12,15H,2,5-6,13-14,16H2
InChIKeyJQIGIYGSOWUONU-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-4-fluorobenzyl)-6-phenylpyridazin-3(2H)-one
CID 16014547
[3-(4-chlorophenyl)-5,6-dihydro-1(4H)-pyridazinyl](phenyl)methanone
CID 1488624
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
(4-chlorophenyl)[3-phenyl-5,6-dihydro-1(4H)-pyridazinyl]methanone
CID 1484237
3-(4-chlorophenyl)-5-phenyl-1-propionyl-4,5-dihydro-1H-pyrazole
CID 2958497
6-(4-chlorophenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3(2H)-one
CID 3238871
2-(2,4-dichlorobenzyl)-6-phenyl-5-piperidino-3(2H)-pyridazinone
CID 3662076
5-[4-(4-chlorobenzoyl)piperazino]-6-phenyl-3(2H)-pyridazinone
CID 3700021

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one (CID 1472480) is 2-[(4-chlorophenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one is O=c1cc(N2CCCCC2)c(-c2ccccc2)nn1Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one?
The InChIKey is JQIGIYGSOWUONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O/c23-19-11-9-17(10-12-19)16-26-21(27)15-20(25-13-5-2-6-14-25)22(24-26)18-7-3-1-4-8-18/h1,3-4,7-12,15H,2,5-6,13-14,16H2.
What are the key properties of 2-[(4-chlorophenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one?
2-[(4-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-[(4-chlorophenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one is sourced from PubChem (CID 1472480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).