3-(3,4-dimethoxyphenyl)-4-piperidin-1-yl-1H-pyridazin-6-one

C17H21N3O3 — CID 10852827

IUPAC3-(3,4-dimethoxyphenyl)-4-piperidin-1-yl-1H-pyridazin-6-one
SMILESCOc1ccc(-c2n[nH]c(=O)cc2N2CCCCC2)cc1OC
InChIInChI=1S/C17H21N3O3/c1-22-14-7-6-12(10-15(14)23-2)17-13(11-16(21)18-19-17)20-8-4-3-5-9-20/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,18,21)
InChIKeyYRIMRFISHSDFJR-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.44
Rot. Bonds4

About 3-(3,4-dimethoxyphenyl)-4-piperidin-1-yl-1H-pyridazin-6-one

3-(3,4-dimethoxyphenyl)-4-piperidin-1-yl-1H-pyridazin-6-one (PubChem CID 10852827) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-4-piperidin-1-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-4-piperidin-1-yl-1H-pyridazin-6-one
PubChem CID10852827
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name3-(3,4-dimethoxyphenyl)-4-piperidin-1-yl-1H-pyridazin-6-one
SMILESCOc1ccc(-c2n[nH]c(=O)cc2N2CCCCC2)cc1OC
InChIInChI=1S/C17H21N3O3/c1-22-14-7-6-12(10-15(14)23-2)17-13(11-16(21)18-19-17)20-8-4-3-5-9-20/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,18,21)
InChIKeyYRIMRFISHSDFJR-UHFFFAOYSA-N
XLogP2.44
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3,4-dimethoxyphenyl)-4-piperidin-1-yl-1H-pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-3-(3,4-dimethoxyphenyl)-1H-pyridazin-6-one
CID 10804945
3-phenyl-4-(4-phenylpiperazin-1-yl)-1H-pyridazin-6-one
CID 5158500
4-amino-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 22905823
3-(3,4-dimethoxyphenyl)-5-piperidin-1-yl-1,2,4-oxadiazole
CID 46276326
4-(4-methylpiperazin-1-yl)-3-(4-pentoxyphenyl)-1H-pyridazin-6-one
CID 51057876
1-cyclooctyl-3-(3,4-dimethoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110564327
3-(3-methyl-4-piperidin-1-ylphenyl)-1H-pyridazin-6-one
CID 58254596
4-(3,4-dimethoxyphenyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidine
CID 630454
2-[6-(azetidin-1-yl)-3-pyridinyl]-6,7-dimethoxy-4-pyrrolidin-1-ylquinoline
CID 177174184
4-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-3-phenyl-1H-pyridazin-6-one
CID 59472479
2-(3,4-dimethoxyphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 53214933
3-(3-fluoro-4-methoxyphenyl)-4-(4-methoxyphenyl)-1H-pyridazin-6-one
CID 18369367

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-4-piperidin-1-yl-1H-pyridazin-6-one?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-4-piperidin-1-yl-1H-pyridazin-6-one (CID 10852827) is 3-(3,4-dimethoxyphenyl)-4-piperidin-1-yl-1H-pyridazin-6-one.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-4-piperidin-1-yl-1H-pyridazin-6-one?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-4-piperidin-1-yl-1H-pyridazin-6-one is COc1ccc(-c2n[nH]c(=O)cc2N2CCCCC2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-4-piperidin-1-yl-1H-pyridazin-6-one?
The InChIKey is YRIMRFISHSDFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-22-14-7-6-12(10-15(14)23-2)17-13(11-16(21)18-19-17)20-8-4-3-5-9-20/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,18,21).
What are the key properties of 3-(3,4-dimethoxyphenyl)-4-piperidin-1-yl-1H-pyridazin-6-one?
3-(3,4-dimethoxyphenyl)-4-piperidin-1-yl-1H-pyridazin-6-one has a molecular weight of 315.37 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-4-piperidin-1-yl-1H-pyridazin-6-one is sourced from PubChem (CID 10852827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).