N1,N1-dimethyl-N4-[(3-phenylphenyl)methyl]piperidine-1,4-dicarboxamide

• ChemBase ID: 719011
• Molecular Formular: C22H27N3O2
• Molecular Mass: 365.46868
• Monoisotopic Mass: 365.21032712
• SMILES: C(=O)(N1CCC(C(=O)NCc2cc(c3ccccc3)ccc2)CC1)N(C)C
• Canonical SMILES: O=C(C1CCN(CC1)C(=O)N(C)C)NCc1cccc(c1)c1ccccc1
• InChI: InChI=1S/C22H27N3O2/c1-24(2)22(27)25-13-11-19(12-14-25)21(26)23-16-17-7-6-10-20(15-17)18-8-4-3-5-9-18/h3-10,15,19H,11-14,16H2,1-2H3,(H,23,26)
• InChIKey: FEVZPEIYMSUZPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N1,N1-dimethyl-N4-[(3-phenylphenyl)methyl]piperidine-1,4-dicarboxamide
• IUPAC Traditional name: N1,N1-dimethyl-N4-[(3-phenylphenyl)methyl]piperidine-1,4-dicarboxamide
• Synonyms: N~4~-(biphenyl-3-ylmethyl)-N~1~,N~1~-dimethylpiperidine-1,4-dicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.84601
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3924127
• LogD (pH = 7.4): 2.392413
• Log P: 2.392413
• Molar Refractivity: 107.579 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: 2.96
• LOG S: -4.39
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 4