2-[1-[2-(3-fluorophenoxy)ethyl]piperidin-3-yl]-5-(4-hydroxypiperidin-1-yl)pyridazin-3-one

C22H29FN4O3 — CID 128972108

IUPAC2-[1-[2-(3-fluorophenoxy)ethyl]piperidin-3-yl]-5-(4-hydroxypiperidin-1-yl)pyridazin-3-one
SMILESO=c1cc(N2CCC(O)CC2)cnn1C1CCCN(CCOc2cccc(F)c2)C1
InChIInChI=1S/C22H29FN4O3/c23-17-3-1-5-21(13-17)30-12-11-25-8-2-4-18(16-25)27-22(29)14-19(15-24-27)26-9-6-20(28)7-10-26/h1,3,5,13-15,18,20,28H,2,4,6-12,16H2
InChIKeyXYXXYGKGRQCFTP-UHFFFAOYSA-N
MW416.50 g/mol
LogP2.06
Rot. Bonds6

About 2-[1-[2-(3-fluorophenoxy)ethyl]piperidin-3-yl]-5-(4-hydroxypiperidin-1-yl)pyridazin-3-one

2-[1-[2-(3-fluorophenoxy)ethyl]piperidin-3-yl]-5-(4-hydroxypiperidin-1-yl)pyridazin-3-one (PubChem CID 128972108) has the molecular formula C22H29FN4O3 and a molecular weight of 416.50 g/mol. Its IUPAC name is 2-[1-[2-(3-fluorophenoxy)ethyl]piperidin-3-yl]-5-(4-hydroxypiperidin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[1-[2-(3-fluorophenoxy)ethyl]piperidin-3-yl]-5-(4-hydroxypiperidin-1-yl)pyridazin-3-one
PubChem CID128972108
Molecular FormulaC22H29FN4O3
Molecular Weight416.50 g/mol
Exact Mass416.22
IUPAC Name2-[1-[2-(3-fluorophenoxy)ethyl]piperidin-3-yl]-5-(4-hydroxypiperidin-1-yl)pyridazin-3-one
SMILESO=c1cc(N2CCC(O)CC2)cnn1C1CCCN(CCOc2cccc(F)c2)C1
InChIInChI=1S/C22H29FN4O3/c23-17-3-1-5-21(13-17)30-12-11-25-8-2-4-18(16-25)27-22(29)14-19(15-24-27)26-9-6-20(28)7-10-26/h1,3,5,13-15,18,20,28H,2,4,6-12,16H2
InChIKeyXYXXYGKGRQCFTP-UHFFFAOYSA-N
XLogP2.06
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[1-[2-(3-fluorophenoxy)ethyl]piperidin-3-yl]-5-(4-hydroxypiperidin-1-yl)pyridazin-3-one with MolForge

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Related Compounds

N-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]-2-(4-fluorophenoxy)acetamide
CID 91911790
2-(4-Fluorophenoxy)-N-{1-[1-(2-methoxyethyl)-6-oxo-1,6-dihydropyridazin-4-YL]piperidin-4-YL}acetamide
CID 91911856
2-(4-Fluorophenoxy)-N~1~-[1-(6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidyl]acetamide
CID 91924003
5-(4-methyl-1-piperazinyl)-2-(2-phenoxyethyl)-3(2H)-pyridazinone
CID 29105749
6-(4-(2-fluorophenoxy)-[1,4'-bipiperidine]-1'-carbonyl)-2-methylpyridazin-3(2H)-one
CID 90616850
4-[[2-[4-(2,5-Difluorophenoxy)piperidin-1-yl]-2-oxoethyl]amino]-2-methylpyridazin-3-one
CID 66958075
2-[4-(dimethylamino)-6-oxo-1(6H)-pyridazinyl]-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide
CID 28427607
5-{4-[(2,4-difluorophenoxy)acetyl]-1-piperazinyl}-2-methyl-3(2H)-pyridazinone
CID 29219979
2-(4-fluorophenoxy)-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)acetamide
CID 53200764
methyl N-[(3-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-1-propyl-1H-pyrazol-4-yl)carbonyl]glycinate
CID 53200812
2-{2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl}-5-pyrrolidin-1-ylpyridazin-3(2H)-one
CID 72851466
2-(2-(4-(2-fluorophenoxy)-[1,4'-bipiperidin]-1'-yl)-2-oxoethyl)pyridazin-3(2H)-one
CID 90616916

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3-fluorophenoxy)ethyl]piperidin-3-yl]-5-(4-hydroxypiperidin-1-yl)pyridazin-3-one?
The IUPAC name of 2-[1-[2-(3-fluorophenoxy)ethyl]piperidin-3-yl]-5-(4-hydroxypiperidin-1-yl)pyridazin-3-one (CID 128972108) is 2-[1-[2-(3-fluorophenoxy)ethyl]piperidin-3-yl]-5-(4-hydroxypiperidin-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-[1-[2-(3-fluorophenoxy)ethyl]piperidin-3-yl]-5-(4-hydroxypiperidin-1-yl)pyridazin-3-one?
The canonical SMILES for 2-[1-[2-(3-fluorophenoxy)ethyl]piperidin-3-yl]-5-(4-hydroxypiperidin-1-yl)pyridazin-3-one is O=c1cc(N2CCC(O)CC2)cnn1C1CCCN(CCOc2cccc(F)c2)C1.
What is the InChIKey of 2-[1-[2-(3-fluorophenoxy)ethyl]piperidin-3-yl]-5-(4-hydroxypiperidin-1-yl)pyridazin-3-one?
The InChIKey is XYXXYGKGRQCFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O3/c23-17-3-1-5-21(13-17)30-12-11-25-8-2-4-18(16-25)27-22(29)14-19(15-24-27)26-9-6-20(28)7-10-26/h1,3,5,13-15,18,20,28H,2,4,6-12,16H2.
What are the key properties of 2-[1-[2-(3-fluorophenoxy)ethyl]piperidin-3-yl]-5-(4-hydroxypiperidin-1-yl)pyridazin-3-one?
2-[1-[2-(3-fluorophenoxy)ethyl]piperidin-3-yl]-5-(4-hydroxypiperidin-1-yl)pyridazin-3-one has a molecular weight of 416.50 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3-fluorophenoxy)ethyl]piperidin-3-yl]-5-(4-hydroxypiperidin-1-yl)pyridazin-3-one is sourced from PubChem (CID 128972108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).