3-methoxy-N-[4-(3-methoxyphenyl)phenyl]piperidine-1-carboxamide

• ChemBase ID: 379743
• Molecular Formular: C20H24N2O3
• Molecular Mass: 340.41616
• Monoisotopic Mass: 340.17869264
• SMILES: C(=O)(N1CC(OC)CCC1)Nc1ccc(c2cc(OC)ccc2)cc1
• Canonical SMILES: COC1CCCN(C1)C(=O)Nc1ccc(cc1)c1cccc(c1)OC
• InChI: InChI=1S/C20H24N2O3/c1-24-18-6-3-5-16(13-18)15-8-10-17(11-9-15)21-20(23)22-12-4-7-19(14-22)25-2/h3,5-6,8-11,13,19H,4,7,12,14H2,1-2H3,(H,21,23)
• InChIKey: LETDJBXBTPIVNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-N-[4-(3-methoxyphenyl)phenyl]piperidine-1-carboxamide
• IUPAC Traditional name: 3-methoxy-N-[4-(3-methoxyphenyl)phenyl]piperidine-1-carboxamide
• Synonyms: 3-methoxy-N-(3'-methoxybiphenyl-4-yl)piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.35591
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.2329059
• LogD (pH = 7.4): 3.2329054
• Log P: 3.2329059
• Molar Refractivity: 99.2452 cm^3
• Polarizability: 38.9832 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.8
• LOG S: -4.07
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 4