4-methyl-2-(2-{4-[2-(piperidine-1-carbonyl)phenoxy]piperidin-1-yl}propyl)pyridine

• ChemBase ID: 689040
• Molecular Formular: C26H35N3O2
• Molecular Mass: 421.575
• Monoisotopic Mass: 421.27292738
• SMILES: C(=O)(c1c(OC2CCN(C(Cc3nccc(c3)C)C)CC2)cccc1)N1CCCCC1
• Canonical SMILES: Cc1ccnc(c1)CC(N1CCC(CC1)Oc1ccccc1C(=O)N1CCCCC1)C
• InChI: InChI=1S/C26H35N3O2/c1-20-10-13-27-22(18-20)19-21(2)28-16-11-23(12-17-28)31-25-9-5-4-8-24(25)26(30)29-14-6-3-7-15-29/h4-5,8-10,13,18,21,23H,3,6-7,11-12,14-17,19H2,1-2H3
• InChIKey: MOVNOGBYUIQVEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-2-(2-{4-[2-(piperidine-1-carbonyl)phenoxy]piperidin-1-yl}propyl)pyridine
• IUPAC Traditional name: 4-methyl-2-(2-{4-[2-(piperidine-1-carbonyl)phenoxy]piperidin-1-yl}propyl)pyridine
• Synonyms: 4-methyl-2-(2-{4-[2-(1-piperidinylcarbonyl)phenoxy]-1-piperidinyl}propyl)pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.8796771
• LogD (pH = 7.4): 2.6627889
• Log P: 3.746021
• Molar Refractivity: 125.079 cm^3
• Polarizability: 48.234783 Å^3
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.49
• LOG S: -4.73
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 6