N1,N1-dimethyl-N3-[(3-phenylphenyl)methyl]piperidine-1,3-dicarboxamide

• ChemBase ID: 412430
• Molecular Formular: C22H27N3O2
• Molecular Mass: 365.46868
• Monoisotopic Mass: 365.21032712
• SMILES: C(=O)(N1CC(C(=O)NCc2cc(c3ccccc3)ccc2)CCC1)N(C)C
• Canonical SMILES: O=C(C1CCCN(C1)C(=O)N(C)C)NCc1cccc(c1)c1ccccc1
• InChI: InChI=1S/C22H27N3O2/c1-24(2)22(27)25-13-7-12-20(16-25)21(26)23-15-17-8-6-11-19(14-17)18-9-4-3-5-10-18/h3-6,8-11,14,20H,7,12-13,15-16H2,1-2H3,(H,23,26)
• InChIKey: MAUPPDBUPZOMRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N1,N1-dimethyl-N3-[(3-phenylphenyl)methyl]piperidine-1,3-dicarboxamide
• IUPAC Traditional name: N1,N1-dimethyl-N3-[(3-phenylphenyl)methyl]piperidine-1,3-dicarboxamide
• Synonyms: N~3~-(biphenyl-3-ylmethyl)-N~1~,N~1~-dimethylpiperidine-1,3-dicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.826796
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5483203
• LogD (pH = 7.4): 2.5483205
• Log P: 2.5483205
• Molar Refractivity: 107.425 cm^3
• Polarizability: 42.528698 Å^3
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.01
• LOG S: -4.43
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 4