2-methyl-6-(4-piperidin-4-yloxyphenyl)pyridazin-3-one

C16H19N3O2 — CID 57390842

IUPAC2-methyl-6-(4-piperidin-4-yloxyphenyl)pyridazin-3-one
SMILESCn1nc(-c2ccc(OC3CCNCC3)cc2)ccc1=O
InChIInChI=1S/C16H19N3O2/c1-19-16(20)7-6-15(18-19)12-2-4-13(5-3-12)21-14-8-10-17-11-9-14/h2-7,14,17H,8-11H2,1H3
InChIKeyXODBQZUDZRJGQM-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.58
Rot. Bonds3

About 2-methyl-6-(4-piperidin-4-yloxyphenyl)pyridazin-3-one

2-methyl-6-(4-piperidin-4-yloxyphenyl)pyridazin-3-one (PubChem CID 57390842) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-methyl-6-(4-piperidin-4-yloxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-(4-piperidin-4-yloxyphenyl)pyridazin-3-one
PubChem CID57390842
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-methyl-6-(4-piperidin-4-yloxyphenyl)pyridazin-3-one
SMILESCn1nc(-c2ccc(OC3CCNCC3)cc2)ccc1=O
InChIInChI=1S/C16H19N3O2/c1-19-16(20)7-6-15(18-19)12-2-4-13(5-3-12)21-14-8-10-17-11-9-14/h2-7,14,17H,8-11H2,1H3
InChIKeyXODBQZUDZRJGQM-UHFFFAOYSA-N
XLogP1.58
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Irdabisant
CID 25070031
Irdabisant Hydrochloride
CID 53363810
2-methyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
CID 23725172
4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one
CID 53363442
3-methyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one
CID 54753627
(4R)-3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 57396087
(4S)-3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 57403054
2-Benzyl-6-(4-methoxyphenyl)pyridazin-3-one
CID 6472426
2-(2-fluoroethyl)-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
CID 24992190
2-(2-hydroxyethyl)-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
CID 24992194
3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one
CID 24992516
6-[4-(1-Cyclobutyl-piperidin-4-yloxy)-phenyl]-4,5-dihydro-2H-pyridazin-3-one
CID 24993176

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-piperidin-4-yloxyphenyl)pyridazin-3-one?
The IUPAC name of 2-methyl-6-(4-piperidin-4-yloxyphenyl)pyridazin-3-one (CID 57390842) is 2-methyl-6-(4-piperidin-4-yloxyphenyl)pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-(4-piperidin-4-yloxyphenyl)pyridazin-3-one?
The canonical SMILES for 2-methyl-6-(4-piperidin-4-yloxyphenyl)pyridazin-3-one is Cn1nc(-c2ccc(OC3CCNCC3)cc2)ccc1=O.
What is the InChIKey of 2-methyl-6-(4-piperidin-4-yloxyphenyl)pyridazin-3-one?
The InChIKey is XODBQZUDZRJGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-19-16(20)7-6-15(18-19)12-2-4-13(5-3-12)21-14-8-10-17-11-9-14/h2-7,14,17H,8-11H2,1H3.
What are the key properties of 2-methyl-6-(4-piperidin-4-yloxyphenyl)pyridazin-3-one?
2-methyl-6-(4-piperidin-4-yloxyphenyl)pyridazin-3-one has a molecular weight of 285.35 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-piperidin-4-yloxyphenyl)pyridazin-3-one is sourced from PubChem (CID 57390842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).