N-[2-(benzyloxy)ethyl]-1-cyclopentanecarbonylpiperidine-4-carboxamide

• ChemBase ID: 472428
• Molecular Formular: C21H30N2O3
• Molecular Mass: 358.4745
• Monoisotopic Mass: 358.22564283
• SMILES: N1(C(=O)C2CCCC2)CCC(C(=O)NCCOCc2ccccc2)CC1
• Canonical SMILES: O=C(C1CCN(CC1)C(=O)C1CCCC1)NCCOCc1ccccc1
• InChI: InChI=1S/C21H30N2O3/c24-20(22-12-15-26-16-17-6-2-1-3-7-17)18-10-13-23(14-11-18)21(25)19-8-4-5-9-19/h1-3,6-7,18-19H,4-5,8-16H2,(H,22,24)
• InChIKey: VBSGKSJAZVOZCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(benzyloxy)ethyl]-1-cyclopentanecarbonylpiperidine-4-carboxamide
• IUPAC Traditional name: N-[2-(benzyloxy)ethyl]-1-cyclopentanecarbonylpiperidine-4-carboxamide
• Synonyms: N-[2-(benzyloxy)ethyl]-1-(cyclopentylcarbonyl)-4-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.776286
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.253338
• LogD (pH = 7.4): 2.253339
• Log P: 2.253339
• Molar Refractivity: 101.6174 cm^3
• Polarizability: 39.599396 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.48
• LOG S: -3.93
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 7