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

• ChemBase ID: 567840
• Molecular Formular: C22H34N2O4
• Molecular Mass: 390.51636
• Monoisotopic Mass: 390.25185758
• SMILES: C(=O)(N1CCC(CC1)OC)c1cc(OC2CCN(CC2)C(C)C)c(cc1)OC
• Canonical SMILES: COC1CCN(CC1)C(=O)c1ccc(c(c1)OC1CCN(CC1)C(C)C)OC
• InChI: InChI=1S/C22H34N2O4/c1-16(2)23-11-9-19(10-12-23)28-21-15-17(5-6-20(21)27-4)22(25)24-13-7-18(26-3)8-14-24/h5-6,15-16,18-19H,7-14H2,1-4H3
• InChIKey: KJRQGCJCSZDLMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-1-(4-methoxy-3-{[1-(propan-2-yl)piperidin-4-yl]oxy}benzoyl)piperidine
• IUPAC Traditional name: 1-{3-[(1-isopropylpiperidin-4-yl)oxy]-4-methoxybenzoyl}-4-methoxypiperidine
• Synonyms: 1-isopropyl-4-{2-methoxy-5-[(4-methoxypiperidin-1-yl)carbonyl]phenoxy}piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.4580886
• LogD (pH = 7.4): 0.15766798
• Log P: 1.717271
• Molar Refractivity: 110.9502 cm^3
• Polarizability: 42.90107 Å^3
• Polar Surface Area: 51.24 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.88
• LOG S: -4.51
• Polar Surface Area: 51.24 Å^2
• Rotatable Bonds: 6