2-[3-(morpholin-4-yl)propyl]-5-(piperidin-1-yl)-2,3-dihydropyridazin-3-one

• ChemBase ID: 662312
• Molecular Formular: C16H26N4O2
• Molecular Mass: 306.40324
• Monoisotopic Mass: 306.20557609
• SMILES: c1c(=O)n(ncc1N1CCCCC1)CCCN1CCOCC1
• Canonical SMILES: O=c1cc(cnn1CCCN1CCOCC1)N1CCCCC1
• InChI: InChI=1S/C16H26N4O2/c21-16-13-15(19-6-2-1-3-7-19)14-17-20(16)8-4-5-18-9-11-22-12-10-18/h13-14H,1-12H2
• InChIKey: GNNKGXGUDAYRAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(morpholin-4-yl)propyl]-5-(piperidin-1-yl)-2,3-dihydropyridazin-3-one
• IUPAC Traditional name: 2-[3-(morpholin-4-yl)propyl]-5-(piperidin-1-yl)pyridazin-3-one
• Synonyms: 2-[3-(4-morpholinyl)propyl]-5-(1-piperidinyl)-3(2H)-pyridazinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.0691088
• LogD (pH = 7.4): 0.20125233
• Log P: 0.31279635
• Molar Refractivity: 88.6528 cm^3
• Polarizability: 33.07181 Å^3
• Polar Surface Area: 48.38 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.17
• LOG S: -2.43
• Polar Surface Area: 50.6 Å^2
• Rotatable Bonds: 5