N-[3-(2-methoxybenzamido)phenyl]-1-methylpiperidine-3-carboxamide

• ChemBase ID: 637713
• Molecular Formular: C21H25N3O3
• Molecular Mass: 367.4415
• Monoisotopic Mass: 367.18959168
• SMILES: C(=O)(c1c(OC)cccc1)Nc1cc(NC(=O)C2CN(CCC2)C)ccc1
• Canonical SMILES: COc1ccccc1C(=O)Nc1cccc(c1)NC(=O)C1CCCN(C1)C
• InChI: InChI=1S/C21H25N3O3/c1-24-12-6-7-15(14-24)20(25)22-16-8-5-9-17(13-16)23-21(26)18-10-3-4-11-19(18)27-2/h3-5,8-11,13,15H,6-7,12,14H2,1-2H3,(H,22,25)(H,23,26)
• InChIKey: GBPMUWIETNZNKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2-methoxybenzamido)phenyl]-1-methylpiperidine-3-carboxamide
• IUPAC Traditional name: N-[3-(2-methoxybenzamido)phenyl]-1-methylpiperidine-3-carboxamide
• Synonyms: N-{3-[(2-methoxybenzoyl)amino]phenyl}-1-methylpiperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.011172
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.42092368
• LogD (pH = 7.4): 1.1651852
• Log P: 2.787703
• Molar Refractivity: 108.49 cm^3
• Polarizability: 40.339176 Å^3
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.58
• LOG S: -4.08
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 5