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

• ChemBase ID: 356487
• Molecular Formular: C20H24N4O2
• Molecular Mass: 352.43016
• Monoisotopic Mass: 352.18992603
• SMILES: C(=O)(N1CCC(CC1)Oc1cnccc1)c1cnc(N2CCCC2)cc1
• Canonical SMILES: O=C(c1ccc(nc1)N1CCCC1)N1CCC(CC1)Oc1cccnc1
• InChI: InChI=1S/C20H24N4O2/c25-20(16-5-6-19(22-14-16)23-10-1-2-11-23)24-12-7-17(8-13-24)26-18-4-3-9-21-15-18/h3-6,9,14-15,17H,1-2,7-8,10-13H2
• InChIKey: BWVUYDMBFZJFSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.4407259
• LogD (pH = 7.4): 1.5942291
• Log P: 1.5964035
• Molar Refractivity: 100.8833 cm^3
• Polarizability: 37.8966 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: 1.79
• LOG S: -4.13
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 4