N3-[(3-phenylphenyl)methyl]piperidine-1,3-dicarboxamide

• ChemBase ID: 725054
• Molecular Formular: C20H23N3O2
• Molecular Mass: 337.41552
• Monoisotopic Mass: 337.17902699
• SMILES: N1(C(=O)N)CC(C(=O)NCc2cc(c3ccccc3)ccc2)CCC1
• Canonical SMILES: O=C(C1CCCN(C1)C(=O)N)NCc1cccc(c1)c1ccccc1
• InChI: InChI=1S/C20H23N3O2/c21-20(25)23-11-5-10-18(14-23)19(24)22-13-15-6-4-9-17(12-15)16-7-2-1-3-8-16/h1-4,6-9,12,18H,5,10-11,13-14H2,(H2,21,25)(H,22,24)
• InChIKey: VIZAOWXYJMFRDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N3-[(3-phenylphenyl)methyl]piperidine-1,3-dicarboxamide
• IUPAC Traditional name: N3-[(3-phenylphenyl)methyl]piperidine-1,3-dicarboxamide
• Synonyms: N~3~-(3-biphenylylmethyl)-1,3-piperidinedicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.513381
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.1009681
• LogD (pH = 7.4): 2.1009684
• Log P: 2.1009684
• Molar Refractivity: 97.6316 cm^3
• Polarizability: 38.83837 Å^3
• Polar Surface Area: 75.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 1.3
• LOG S: -2.77
• Polar Surface Area: 75.43 Å^2
• Rotatable Bonds: 4