2-[[1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one

C24H24N4O4 — CID 126851757

IUPAC2-[[1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
SMILESO=C(c1cccc2c1OCCO2)N1CCC(Cn2nc(-c3ccncc3)ccc2=O)CC1
InChIInChI=1S/C24H24N4O4/c29-22-5-4-20(18-6-10-25-11-7-18)26-28(22)16-17-8-12-27(13-9-17)24(30)19-2-1-3-21-23(19)32-15-14-31-21/h1-7,10-11,17H,8-9,12-16H2
InChIKeySJIJWCQCSDEEQZ-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.63
Rot. Bonds4

About 2-[[1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one

2-[[1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one (PubChem CID 126851757) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 2-[[1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
PubChem CID126851757
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name2-[[1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
SMILESO=C(c1cccc2c1OCCO2)N1CCC(Cn2nc(-c3ccncc3)ccc2=O)CC1
InChIInChI=1S/C24H24N4O4/c29-22-5-4-20(18-6-10-25-11-7-18)26-28(22)16-17-8-12-27(13-9-17)24(30)19-2-1-3-21-23(19)32-15-14-31-21/h1-7,10-11,17H,8-9,12-16H2
InChIKeySJIJWCQCSDEEQZ-UHFFFAOYSA-N
XLogP2.63
TPSA86.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one with MolForge

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Related Compounds

2-[[1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863399
2-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-6-phenylpyridazin-3-one
CID 126852409
2-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863401
2-[[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863466
2-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863759
2,3-dihydro-1,4-benzodioxin-5-yl-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115746515
2-[[1-(2,6-difluorobenzoyl)piperidin-4-yl]methyl]-6-(4-methoxyphenyl)pyridazin-3-one
CID 16669446
2-[(1-acetylpiperidin-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 46958873
2-[[1-[2-(2-oxopyrazin-1-yl)ethyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863598
2-[[1-(2-benzylsulfanylacetyl)piperidin-4-yl]methyl]-6-phenylpyridazin-3-one
CID 126852418
2-[[1-(cyclobutanecarbonyl)piperidin-4-yl]methyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 95797494
2-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863526

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
The IUPAC name of 2-[[1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one (CID 126851757) is 2-[[1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-[[1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
The canonical SMILES for 2-[[1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one is O=C(c1cccc2c1OCCO2)N1CCC(Cn2nc(-c3ccncc3)ccc2=O)CC1.
What is the InChIKey of 2-[[1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
The InChIKey is SJIJWCQCSDEEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c29-22-5-4-20(18-6-10-25-11-7-18)26-28(22)16-17-8-12-27(13-9-17)24(30)19-2-1-3-21-23(19)32-15-14-31-21/h1-7,10-11,17H,8-9,12-16H2.
What are the key properties of 2-[[1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
2-[[1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one has a molecular weight of 432.48 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one is sourced from PubChem (CID 126851757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).