ethyl 1-(5-methoxyfuran-2-carbonyl)-3-[(2E)-3-phenylprop-2-en-1-yl]piperidine-3-carboxylate

• ChemBase ID: 319011
• Molecular Formular: C23H27NO5
• Molecular Mass: 397.46418
• Monoisotopic Mass: 397.18892297
• SMILES: N1(C(=O)c2oc(cc2)OC)CC(C(=O)OCC)(C/C=C/c2ccccc2)CCC1
• Canonical SMILES: CCOC(=O)C1(CCCN(C1)C(=O)c1ccc(o1)OC)C/C=C/c1ccccc1
• InChI: InChI=1S/C23H27NO5/c1-3-28-22(26)23(14-7-11-18-9-5-4-6-10-18)15-8-16-24(17-23)21(25)19-12-13-20(27-2)29-19/h4-7,9-13H,3,8,14-17H2,1-2H3/b11-7+
• InChIKey: DAWQIEBYPKCYDT-YRNVUSSQSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 1-(5-methoxyfuran-2-carbonyl)-3-[(2E)-3-phenylprop-2-en-1-yl]piperidine-3-carboxylate
• IUPAC Traditional name: ethyl 1-(5-methoxyfuran-2-carbonyl)-3-[(2E)-3-phenylprop-2-en-1-yl]piperidine-3-carboxylate
• Synonyms: ethyl 1-(5-methoxy-2-furoyl)-3-[(2E)-3-phenyl-2-propen-1-yl]-3-piperidinecarboxylate

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.7391274
• LogD (pH = 7.4): 3.7391274
• Log P: 3.7391274
• Molar Refractivity: 110.2984 cm^3
• Polarizability: 42.285736 Å^3
• Polar Surface Area: 68.98 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: 4.26
• LOG S: -4.59
• Polar Surface Area: 68.98 Å^2
• Rotatable Bonds: 5