6-(2-methoxyphenyl)-2-(2-piperidin-1-ylethyl)pyridazin-3-one

C18H23N3O2 — CID 7662869

IUPAC6-(2-methoxyphenyl)-2-(2-piperidin-1-ylethyl)pyridazin-3-one
SMILESCOc1ccccc1-c1ccc(=O)n(CCN2CCCCC2)n1
InChIInChI=1S/C18H23N3O2/c1-23-17-8-4-3-7-15(17)16-9-10-18(22)21(19-16)14-13-20-11-5-2-6-12-20/h3-4,7-10H,2,5-6,11-14H2,1H3
InChIKeyLCFFNZYOCLPIOR-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.40
Rot. Bonds5

About 6-(2-methoxyphenyl)-2-(2-piperidin-1-ylethyl)pyridazin-3-one

6-(2-methoxyphenyl)-2-(2-piperidin-1-ylethyl)pyridazin-3-one (PubChem CID 7662869) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-2-(2-piperidin-1-ylethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-2-(2-piperidin-1-ylethyl)pyridazin-3-one
PubChem CID7662869
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name6-(2-methoxyphenyl)-2-(2-piperidin-1-ylethyl)pyridazin-3-one
SMILESCOc1ccccc1-c1ccc(=O)n(CCN2CCCCC2)n1
InChIInChI=1S/C18H23N3O2/c1-23-17-8-4-3-7-15(17)16-9-10-18(22)21(19-16)14-13-20-11-5-2-6-12-20/h3-4,7-10H,2,5-6,11-14H2,1H3
InChIKeyLCFFNZYOCLPIOR-UHFFFAOYSA-N
XLogP2.40
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-naphthalen-1-yl-2-(2-piperidin-1-ylethyl)pyridazin-3-one
CID 7664936
2-(2-piperidin-1-ylethyl)-6-pyridin-2-ylpyridazin-3-one
CID 153373072
6-(2,4-dimethylphenyl)-2-(2-piperidin-1-ylethyl)pyridazin-3-one
CID 7666040
6-(2-methoxyphenyl)-2-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]pyridazin-3-one
CID 96558044
6-(2-methoxyphenyl)-2-[(4-methylphenyl)methyl]pyridazin-3-one
CID 7662773
2-(2-piperidin-1-ylethyl)-6-thiophen-2-ylpyridazin-3-one
CID 7659593
2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide
CID 90545019
2-[2-(azepan-1-yl)ethyl]-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one
CID 10982551
2-[2-(azepan-1-yl)-2-oxoethyl]-6-(4-fluoro-2-methoxyphenyl)pyridazin-3-one
CID 52901384
2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide
CID 7662633
N-benzyl-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide
CID 121050752
N-(3-chloro-2-methylphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662903

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-2-(2-piperidin-1-ylethyl)pyridazin-3-one?
The IUPAC name of 6-(2-methoxyphenyl)-2-(2-piperidin-1-ylethyl)pyridazin-3-one (CID 7662869) is 6-(2-methoxyphenyl)-2-(2-piperidin-1-ylethyl)pyridazin-3-one.
What is the SMILES notation for 6-(2-methoxyphenyl)-2-(2-piperidin-1-ylethyl)pyridazin-3-one?
The canonical SMILES for 6-(2-methoxyphenyl)-2-(2-piperidin-1-ylethyl)pyridazin-3-one is COc1ccccc1-c1ccc(=O)n(CCN2CCCCC2)n1.
What is the InChIKey of 6-(2-methoxyphenyl)-2-(2-piperidin-1-ylethyl)pyridazin-3-one?
The InChIKey is LCFFNZYOCLPIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-23-17-8-4-3-7-15(17)16-9-10-18(22)21(19-16)14-13-20-11-5-2-6-12-20/h3-4,7-10H,2,5-6,11-14H2,1H3.
What are the key properties of 6-(2-methoxyphenyl)-2-(2-piperidin-1-ylethyl)pyridazin-3-one?
6-(2-methoxyphenyl)-2-(2-piperidin-1-ylethyl)pyridazin-3-one has a molecular weight of 313.40 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-2-(2-piperidin-1-ylethyl)pyridazin-3-one is sourced from PubChem (CID 7662869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).