1-[1-(methoxymethyl)cyclobutanecarbonyl]-3-(4-methoxyphenoxymethyl)piperidine

• ChemBase ID: 570405
• Molecular Formular: C20H29NO4
• Molecular Mass: 347.44856
• Monoisotopic Mass: 347.20965841
• SMILES: N1(C(=O)C2(COC)CCC2)CC(COc2ccc(cc2)OC)CCC1
• Canonical SMILES: COCC1(CCC1)C(=O)N1CCCC(C1)COc1ccc(cc1)OC
• InChI: InChI=1S/C20H29NO4/c1-23-15-20(10-4-11-20)19(22)21-12-3-5-16(13-21)14-25-18-8-6-17(24-2)7-9-18/h6-9,16H,3-5,10-15H2,1-2H3
• InChIKey: BXAWWFORKVGPGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-(methoxymethyl)cyclobutanecarbonyl]-3-(4-methoxyphenoxymethyl)piperidine
• IUPAC Traditional name: 1-[1-(methoxymethyl)cyclobutanecarbonyl]-3-(4-methoxyphenoxymethyl)piperidine
• Synonyms: 1-{[1-(methoxymethyl)cyclobutyl]carbonyl}-3-[(4-methoxyphenoxy)methyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.5564947
• LogD (pH = 7.4): 2.5564957
• Log P: 2.5564957
• Molar Refractivity: 96.453 cm^3
• Polarizability: 37.909737 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.8
• LOG S: -4.12
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 7