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

• ChemBase ID: 474751
• Molecular Formular: C22H28N4O2
• Molecular Mass: 380.48332
• Monoisotopic Mass: 380.22122616
• SMILES: C(=O)(N1CCC(CC1)Oc1cnccc1)c1cnc(N2CC(CCC2)C)cc1
• Canonical SMILES: CC1CCCN(C1)c1ccc(cn1)C(=O)N1CCC(CC1)Oc1cccnc1
• InChI: InChI=1S/C22H28N4O2/c1-17-4-3-11-26(16-17)21-7-6-18(14-24-21)22(27)25-12-8-19(9-13-25)28-20-5-2-10-23-15-20/h2,5-7,10,14-15,17,19H,3-4,8-9,11-13,16H2,1H3
• InChIKey: YHTNJQCKEOGDCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.250745
• LogD (pH = 7.4): 2.403778
• Log P: 2.405945
• Molar Refractivity: 109.9559 cm^3
• Polarizability: 41.57602 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: 2.87
• LOG S: -5.28
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 4