2-(piperidin-1-yl)-5-[4-(pyridin-3-yloxy)piperidine-1-carbonyl]pyridine

• ChemBase ID: 693446
• Molecular Formular: C21H26N4O2
• Molecular Mass: 366.45674
• Monoisotopic Mass: 366.20557609
• SMILES: C(=O)(N1CCC(CC1)Oc1cnccc1)c1cnc(N2CCCCC2)cc1
• Canonical SMILES: O=C(c1ccc(nc1)N1CCCCC1)N1CCC(CC1)Oc1cccnc1
• InChI: InChI=1S/C21H26N4O2/c26-21(17-6-7-20(23-15-17)24-11-2-1-3-12-24)25-13-8-18(9-14-25)27-19-5-4-10-22-16-19/h4-7,10,15-16,18H,1-3,8-9,11-14H2
• InChIKey: SKBKWKGJYVRAGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-1-yl)-5-[4-(pyridin-3-yloxy)piperidine-1-carbonyl]pyridine
• IUPAC Traditional name: 2-(piperidin-1-yl)-5-[4-(pyridin-3-yloxy)piperidine-1-carbonyl]pyridine
• Synonyms: 2-piperidin-1-yl-5-{[4-(pyridin-3-yloxy)piperidin-1-yl]carbonyl}pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.8852918
• LogD (pH = 7.4): 2.0387979
• Log P: 2.0409722
• Molar Refractivity: 105.4843 cm^3
• Polarizability: 39.736015 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.04
• LOG S: -3.61
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 4