N-[(4-methoxyphenyl)methyl]-3-(2-phenylacetyl)piperidine-1-carboxamide

• ChemBase ID: 400926
• Molecular Formular: C22H26N2O3
• Molecular Mass: 366.45344
• Monoisotopic Mass: 366.1943427
• SMILES: N1(C(=O)NCc2ccc(cc2)OC)CC(C(=O)Cc2ccccc2)CCC1
• Canonical SMILES: COc1ccc(cc1)CNC(=O)N1CCCC(C1)C(=O)Cc1ccccc1
• InChI: InChI=1S/C22H26N2O3/c1-27-20-11-9-18(10-12-20)15-23-22(26)24-13-5-8-19(16-24)21(25)14-17-6-3-2-4-7-17/h2-4,6-7,9-12,19H,5,8,13-16H2,1H3,(H,23,26)
• InChIKey: XBORLVMYRXZNDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-methoxyphenyl)methyl]-3-(2-phenylacetyl)piperidine-1-carboxamide
• IUPAC Traditional name: N-[(4-methoxyphenyl)methyl]-3-(2-phenylacetyl)piperidine-1-carboxamide
• Synonyms: N-(4-methoxybenzyl)-3-(phenylacetyl)-1-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.88892
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.2669795
• LogD (pH = 7.4): 3.2669797
• Log P: 3.2669797
• Molar Refractivity: 105.4094 cm^3
• Polarizability: 40.696735 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.98
• LOG S: -4.42
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 6