N-({1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl}methyl)-2-methoxy-N-methyl-2-phenylacetamide

• ChemBase ID: 477842
• Molecular Formular: C24H31FN2O2
• Molecular Mass: 398.5135432
• Monoisotopic Mass: 398.23695646
• SMILES: C(=O)(N(CC1CCN(CCc2ccc(F)cc2)CC1)C)C(c1ccccc1)OC
• Canonical SMILES: COC(C(=O)N(CC1CCN(CC1)CCc1ccc(cc1)F)C)c1ccccc1
• InChI: InChI=1S/C24H31FN2O2/c1-26(24(28)23(29-2)21-6-4-3-5-7-21)18-20-13-16-27(17-14-20)15-12-19-8-10-22(25)11-9-19/h3-11,20,23H,12-18H2,1-2H3
• InChIKey: UGKFZPPUABDTEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl}methyl)-2-methoxy-N-methyl-2-phenylacetamide
• IUPAC Traditional name: N-({1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl}methyl)-2-methoxy-N-methyl-2-phenylacetamide
• Synonyms: N-({1-[2-(4-fluorophenyl)ethyl]-4-piperidinyl}methyl)-2-methoxy-N-methyl-2-phenylacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.6501309
• LogD (pH = 7.4): 2.268235
• Log P: 3.822615
• Molar Refractivity: 114.9237 cm^3
• Polarizability: 44.284954 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.99
• LOG S: -3.35
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 7