3-(methoxymethyl)-N-[4-(3-methoxyphenoxy)phenyl]piperidine-1-carboxamide

• ChemBase ID: 557427
• Molecular Formular: C21H26N2O4
• Molecular Mass: 370.44214
• Monoisotopic Mass: 370.18925732
• SMILES: C(=O)(N1CC(COC)CCC1)Nc1ccc(Oc2cc(OC)ccc2)cc1
• Canonical SMILES: COCC1CCCN(C1)C(=O)Nc1ccc(cc1)Oc1cccc(c1)OC
• InChI: InChI=1S/C21H26N2O4/c1-25-15-16-5-4-12-23(14-16)21(24)22-17-8-10-18(11-9-17)27-20-7-3-6-19(13-20)26-2/h3,6-11,13,16H,4-5,12,14-15H2,1-2H3,(H,22,24)
• InChIKey: GPTUHFWGNYNZCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(methoxymethyl)-N-[4-(3-methoxyphenoxy)phenyl]piperidine-1-carboxamide
• IUPAC Traditional name: 3-(methoxymethyl)-N-[4-(3-methoxyphenoxy)phenyl]piperidine-1-carboxamide
• Synonyms: 3-(methoxymethyl)-N-[4-(3-methoxyphenoxy)phenyl]piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.887304
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.1307223
• LogD (pH = 7.4): 3.130722
• Log P: 3.1307223
• Molar Refractivity: 105.2898 cm^3
• Polarizability: 40.201157 Å^3
• Polar Surface Area: 60.03 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.17
• LOG S: -3.75
• Polar Surface Area: 60.03 Å^2
• Rotatable Bonds: 6