N3-[2-(benzyloxy)ethyl]piperidine-1,3-dicarboxamide

• ChemBase ID: 856295
• Molecular Formular: C16H23N3O3
• Molecular Mass: 305.37212
• Monoisotopic Mass: 305.17394161
• SMILES: N1(C(=O)N)CC(C(=O)NCCOCc2ccccc2)CCC1
• Canonical SMILES: O=C(C1CCCN(C1)C(=O)N)NCCOCc1ccccc1
• InChI: InChI=1S/C16H23N3O3/c17-16(21)19-9-4-7-14(11-19)15(20)18-8-10-22-12-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H2,17,21)(H,18,20)
• InChIKey: OFVLJJGQECVCNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N3-[2-(benzyloxy)ethyl]piperidine-1,3-dicarboxamide
• IUPAC Traditional name: N3-[2-(benzyloxy)ethyl]piperidine-1,3-dicarboxamide
• Synonyms: N~3~-[2-(benzyloxy)ethyl]-1,3-piperidinedicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.354876
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.4067673
• LogD (pH = 7.4): 0.40676743
• Log P: 0.40676743
• Molar Refractivity: 83.5389 cm^3
• Polarizability: 32.274055 Å^3
• Polar Surface Area: 84.66 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: -0.21
• LOG S: -2.56
• Polar Surface Area: 84.66 Å^2
• Rotatable Bonds: 6