ethyl 1-(2-oxo-2-phenylacetyl)-4-(2-phenoxyethyl)piperidine-4-carboxylate

• ChemBase ID: 537018
• Molecular Formular: C24H27NO5
• Molecular Mass: 409.47488
• Monoisotopic Mass: 409.18892297
• SMILES: C(=O)(N1CCC(C(=O)OCC)(CC1)CCOc1ccccc1)C(=O)c1ccccc1
• Canonical SMILES: CCOC(=O)C1(CCOc2ccccc2)CCN(CC1)C(=O)C(=O)c1ccccc1
• InChI: InChI=1S/C24H27NO5/c1-2-29-23(28)24(15-18-30-20-11-7-4-8-12-20)13-16-25(17-14-24)22(27)21(26)19-9-5-3-6-10-19/h3-12H,2,13-18H2,1H3
• InChIKey: ZPUFMDNJJMBVJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 1-(2-oxo-2-phenylacetyl)-4-(2-phenoxyethyl)piperidine-4-carboxylate
• IUPAC Traditional name: ethyl 1-(2-oxo-2-phenylacetyl)-4-(2-phenoxyethyl)piperidine-4-carboxylate
• Synonyms: ethyl 1-[oxo(phenyl)acetyl]-4-(2-phenoxyethyl)-4-piperidinecarboxylate

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.6047657
• LogD (pH = 7.4): 3.6047657
• Log P: 3.6047657
• Molar Refractivity: 113.0615 cm^3
• Polarizability: 43.995667 Å^3
• Polar Surface Area: 72.91 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.31
• LOG S: -4.05
• Polar Surface Area: 72.91 Å^2
• Rotatable Bonds: 7