4-[1-(methoxymethyl)cyclobutaneamido]-N-phenylpiperidine-1-carboxamide

• ChemBase ID: 386766
• Molecular Formular: C19H27N3O3
• Molecular Mass: 345.43598
• Monoisotopic Mass: 345.20524174
• SMILES: C(=O)(N1CCC(NC(=O)C2(COC)CCC2)CC1)Nc1ccccc1
• Canonical SMILES: COCC1(CCC1)C(=O)NC1CCN(CC1)C(=O)Nc1ccccc1
• InChI: InChI=1S/C19H27N3O3/c1-25-14-19(10-5-11-19)17(23)20-16-8-12-22(13-9-16)18(24)21-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-14H2,1H3,(H,20,23)(H,21,24)
• InChIKey: OTWJFECFSGSKJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[1-(methoxymethyl)cyclobutaneamido]-N-phenylpiperidine-1-carboxamide
• IUPAC Traditional name: 4-[1-(methoxymethyl)cyclobutaneamido]-N-phenylpiperidine-1-carboxamide
• Synonyms: 4-({[1-(methoxymethyl)cyclobutyl]carbonyl}amino)-N-phenylpiperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.420271
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.497521
• LogD (pH = 7.4): 1.4975213
• Log P: 1.4975218
• Molar Refractivity: 97.2438 cm^3
• Polarizability: 37.055405 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: 3
• H Donor: 2
• Log P: 0.71
• LOG S: -2.33
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 5