4-methoxy-4-phenyl-1-[3-(piperidin-3-yl)benzoyl]piperidine

• ChemBase ID: 339689
• Molecular Formular: C24H30N2O2
• Molecular Mass: 378.5072
• Monoisotopic Mass: 378.23072821
• SMILES: C(=O)(N1CCC(CC1)(c1ccccc1)OC)c1cc(C2CNCCC2)ccc1
• Canonical SMILES: COC1(CCN(CC1)C(=O)c1cccc(c1)C1CCCNC1)c1ccccc1
• InChI: InChI=1S/C24H30N2O2/c1-28-24(22-10-3-2-4-11-22)12-15-26(16-13-24)23(27)20-8-5-7-19(17-20)21-9-6-14-25-18-21/h2-5,7-8,10-11,17,21,25H,6,9,12-16,18H2,1H3
• InChIKey: IVVBXAPRTFJGCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-4-phenyl-1-[3-(piperidin-3-yl)benzoyl]piperidine
• IUPAC Traditional name: 4-methoxy-4-phenyl-1-[3-(piperidin-3-yl)benzoyl]piperidine
• Synonyms: 4-methoxy-4-phenyl-1-(3-piperidin-3-ylbenzoyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.15238196
• LogD (pH = 7.4): 0.59092164
• Log P: 3.0636847
• Molar Refractivity: 113.2515 cm^3
• Polarizability: 43.700397 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.76
• LOG S: -4.32
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4