3-({1-[1-(propan-2-yl)piperidine-4-carbonyl]piperidin-4-yl}oxy)pyridine

• ChemBase ID: 545445
• Molecular Formular: C19H29N3O2
• Molecular Mass: 331.45246
• Monoisotopic Mass: 331.22597718
• SMILES: C(=O)(N1CCC(CC1)Oc1cnccc1)C1CCN(CC1)C(C)C
• Canonical SMILES: O=C(N1CCC(CC1)Oc1cccnc1)C1CCN(CC1)C(C)C
• InChI: InChI=1S/C19H29N3O2/c1-15(2)21-10-5-16(6-11-21)19(23)22-12-7-17(8-13-22)24-18-4-3-9-20-14-18/h3-4,9,14-17H,5-8,10-13H2,1-2H3
• InChIKey: DIIYYFVZRYTCDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-({1-[1-(propan-2-yl)piperidine-4-carbonyl]piperidin-4-yl}oxy)pyridine
• IUPAC Traditional name: 3-{[1-(1-isopropylpiperidine-4-carbonyl)piperidin-4-yl]oxy}pyridine
• Synonyms: 3-({1-[(1-isopropyl-4-piperidinyl)carbonyl]-4-piperidinyl}oxy)pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.291926
• LogD (pH = 7.4): -0.81572086
• Log P: 1.1116114
• Molar Refractivity: 94.9803 cm^3
• Polarizability: 37.165707 Å^3
• Polar Surface Area: 45.67 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: 2.33
• LOG S: -3.61
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 4