2-[(4-benzylpiperidin-1-yl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one

C24H27N3O2 — CID 11280723

IUPAC2-[(4-benzylpiperidin-1-yl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(CN3CCC(Cc4ccccc4)CC3)n2)cc1
InChIInChI=1S/C24H27N3O2/c1-29-22-9-7-21(8-10-22)23-11-12-24(28)27(25-23)18-26-15-13-20(14-16-26)17-19-5-3-2-4-6-19/h2-12,20H,13-18H2,1H3
InChIKeyOCQUUPYQGHZAGD-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.83
Rot. Bonds6

About 2-[(4-benzylpiperidin-1-yl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one

2-[(4-benzylpiperidin-1-yl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one (PubChem CID 11280723) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-[(4-benzylpiperidin-1-yl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[(4-benzylpiperidin-1-yl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one
PubChem CID11280723
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name2-[(4-benzylpiperidin-1-yl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(CN3CCC(Cc4ccccc4)CC3)n2)cc1
InChIInChI=1S/C24H27N3O2/c1-29-22-9-7-21(8-10-22)23-11-12-24(28)27(25-23)18-26-15-13-20(14-16-26)17-19-5-3-2-4-6-19/h2-12,20H,13-18H2,1H3
InChIKeyOCQUUPYQGHZAGD-UHFFFAOYSA-N
XLogP3.83
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]-6-(4-methoxyphenyl)pyridazin-3-one
CID 16885034
2-[[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methyl]-6-(4-methoxyphenyl)pyridazin-3-one
CID 71710584
2-[[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methyl]-6-(4-methoxyphenyl)pyridazin-3-one
CID 96556945
N-[2-(4-benzylpiperidin-1-yl)ethyl]-3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide
CID 46372473
2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-6-(4-ethylphenyl)pyridazin-3-one
CID 121051013
(4-benzylpiperidin-1-yl)-[1-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]methanone
CID 42755403
2-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 27151351
6-(4-methylsulfanylphenyl)-2-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]pyridazin-3-one
CID 96557622
N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-phenylethanesulfonamide
CID 16820346
N-benzyl-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 121050299
2-[(4-benzylpiperidin-1-yl)methyl]-6-methoxy-1H-benzimidazole
CID 11325148
2-[[1-(2,6-difluorobenzoyl)piperidin-4-yl]methyl]-6-(4-methoxyphenyl)pyridazin-3-one
CID 16669446

Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzylpiperidin-1-yl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one?
The IUPAC name of 2-[(4-benzylpiperidin-1-yl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one (CID 11280723) is 2-[(4-benzylpiperidin-1-yl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 2-[(4-benzylpiperidin-1-yl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one?
The canonical SMILES for 2-[(4-benzylpiperidin-1-yl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one is COc1ccc(-c2ccc(=O)n(CN3CCC(Cc4ccccc4)CC3)n2)cc1.
What is the InChIKey of 2-[(4-benzylpiperidin-1-yl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one?
The InChIKey is OCQUUPYQGHZAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-29-22-9-7-21(8-10-22)23-11-12-24(28)27(25-23)18-26-15-13-20(14-16-26)17-19-5-3-2-4-6-19/h2-12,20H,13-18H2,1H3.
What are the key properties of 2-[(4-benzylpiperidin-1-yl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one?
2-[(4-benzylpiperidin-1-yl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one has a molecular weight of 389.50 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzylpiperidin-1-yl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 11280723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).