1-[1-(methoxymethyl)cyclobutanecarbonyl]-4-phenylpiperidine-4-carbonitrile

• ChemBase ID: 342208
• Molecular Formular: C19H24N2O2
• Molecular Mass: 312.40606
• Monoisotopic Mass: 312.18377802
• SMILES: C(=O)(N1CCC(C#N)(CC1)c1ccccc1)C1(COC)CCC1
• Canonical SMILES: COCC1(CCC1)C(=O)N1CCC(CC1)(C#N)c1ccccc1
• InChI: InChI=1S/C19H24N2O2/c1-23-15-19(8-5-9-19)17(22)21-12-10-18(14-20,11-13-21)16-6-3-2-4-7-16/h2-4,6-7H,5,8-13,15H2,1H3
• InChIKey: HCUNFCNBAXYUIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-(methoxymethyl)cyclobutanecarbonyl]-4-phenylpiperidine-4-carbonitrile
• IUPAC Traditional name: 1-[1-(methoxymethyl)cyclobutanecarbonyl]-4-phenylpiperidine-4-carbonitrile
• Synonyms: 1-{[1-(methoxymethyl)cyclobutyl]carbonyl}-4-phenylpiperidine-4-carbonitrile

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.3806756
• LogD (pH = 7.4): 2.380676
• Log P: 2.380676
• Molar Refractivity: 89.2436 cm^3
• Polarizability: 34.54908 Å^3
• Polar Surface Area: 53.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.94
• LOG S: -3.4
• Polar Surface Area: 53.33 Å^2
• Rotatable Bonds: 4