3-{4-[4-(3-methoxypiperidine-1-carbonyl)phenoxy]piperidine-1-carbonyl}pyridine

• ChemBase ID: 793827
• Molecular Formular: C24H29N3O4
• Molecular Mass: 423.50476
• Monoisotopic Mass: 423.21580642
• SMILES: N1(C(=O)c2ccc(OC3CCN(C(=O)c4cnccc4)CC3)cc2)CC(OC)CCC1
• Canonical SMILES: COC1CCCN(C1)C(=O)c1ccc(cc1)OC1CCN(CC1)C(=O)c1cccnc1
• InChI: InChI=1S/C24H29N3O4/c1-30-22-5-3-13-27(17-22)23(28)18-6-8-20(9-7-18)31-21-10-14-26(15-11-21)24(29)19-4-2-12-25-16-19/h2,4,6-9,12,16,21-22H,3,5,10-11,13-15,17H2,1H3
• InChIKey: FPKQFZBCCDUXIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{4-[4-(3-methoxypiperidine-1-carbonyl)phenoxy]piperidine-1-carbonyl}pyridine
• IUPAC Traditional name: 3-{4-[4-(3-methoxypiperidine-1-carbonyl)phenoxy]piperidine-1-carbonyl}pyridine
• Synonyms: 3-[(4-{4-[(3-methoxy-1-piperidinyl)carbonyl]phenoxy}-1-piperidinyl)carbonyl]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.4174128
• LogD (pH = 7.4): 1.4222958
• Log P: 1.4223585
• Molar Refractivity: 117.8836 cm^3
• Polarizability: 44.873825 Å^3
• Polar Surface Area: 71.97 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.95
• LOG S: -3.47
• Polar Surface Area: 71.97 Å^2
• Rotatable Bonds: 4