1'-[1-(methoxymethyl)cyclobutanecarbonyl]-1,2-dihydrospiro[indole-3,3'-piperidine]-2-one

• ChemBase ID: 862202
• Molecular Formular: C19H24N2O3
• Molecular Mass: 328.40546
• Monoisotopic Mass: 328.17869264
• SMILES: C12(C(=O)Nc3c1cccc3)CN(C(=O)C1(COC)CCC1)CCC2
• Canonical SMILES: COCC1(CCC1)C(=O)N1CCCC2(C1)C(=O)Nc1c2cccc1
• InChI: InChI=1S/C19H24N2O3/c1-24-13-18(8-4-9-18)17(23)21-11-5-10-19(12-21)14-6-2-3-7-15(14)20-16(19)22/h2-3,6-7H,4-5,8-13H2,1H3,(H,20,22)
• InChIKey: ANTWHGYCAPAKKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1'-[1-(methoxymethyl)cyclobutanecarbonyl]-1,2-dihydrospiro[indole-3,3'-piperidine]-2-one
• IUPAC Traditional name: 1'-[1-(methoxymethyl)cyclobutanecarbonyl]-1H-spiro[indole-3,3'-piperidine]-2-one
• Synonyms: 1'-{[1-(methoxymethyl)cyclobutyl]carbonyl}spiro[indole-3,3'-piperidin]-2(1H)-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.179134
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.9396904
• LogD (pH = 7.4): 1.9396901
• Log P: 1.9396908
• Molar Refractivity: 92.3296 cm^3
• Polarizability: 35.183758 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.0
• LOG S: -3.3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 3