ethyl 1-(2-methoxybenzoyl)-4-[(4-methoxyphenyl)methyl]piperidine-4-carboxylate

• ChemBase ID: 453243
• Molecular Formular: C24H29NO5
• Molecular Mass: 411.49076
• Monoisotopic Mass: 411.20457303
• SMILES: C(=O)(c1c(OC)cccc1)N1CCC(C(=O)OCC)(Cc2ccc(cc2)OC)CC1
• Canonical SMILES: CCOC(=O)C1(CCN(CC1)C(=O)c1ccccc1OC)Cc1ccc(cc1)OC
• InChI: InChI=1S/C24H29NO5/c1-4-30-23(27)24(17-18-9-11-19(28-2)12-10-18)13-15-25(16-14-24)22(26)20-7-5-6-8-21(20)29-3/h5-12H,4,13-17H2,1-3H3
• InChIKey: GJCICZCYEDYZSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 1-(2-methoxybenzoyl)-4-[(4-methoxyphenyl)methyl]piperidine-4-carboxylate
• IUPAC Traditional name: ethyl 1-(2-methoxybenzoyl)-4-[(4-methoxyphenyl)methyl]piperidine-4-carboxylate
• Synonyms: ethyl 1-(2-methoxybenzoyl)-4-(4-methoxybenzyl)-4-piperidinecarboxylate

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.6660953
• LogD (pH = 7.4): 3.6660953
• Log P: 3.6660953
• Molar Refractivity: 114.9528 cm^3
• Polarizability: 44.405525 Å^3
• Polar Surface Area: 65.07 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.41
• LOG S: -4.11
• Polar Surface Area: 65.07 Å^2
• Rotatable Bonds: 4