1'-[1-(2-methoxyethyl)pyrrolidine-3-carbonyl]spiro[indene-1,4'-piperidine]

• ChemBase ID: 662283
• Molecular Formular: C21H28N2O2
• Molecular Mass: 340.45922
• Monoisotopic Mass: 340.21507815
• SMILES: C(=O)(C1CN(CC1)CCOC)N1CCC2(C=Cc3c2cccc3)CC1
• Canonical SMILES: COCCN1CCC(C1)C(=O)N1CCC2(CC1)C=Cc1c2cccc1
• InChI: InChI=1S/C21H28N2O2/c1-25-15-14-22-11-7-18(16-22)20(24)23-12-9-21(10-13-23)8-6-17-4-2-3-5-19(17)21/h2-6,8,18H,7,9-16H2,1H3
• InChIKey: ZJPQHGAGQIXGOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1'-[1-(2-methoxyethyl)pyrrolidine-3-carbonyl]spiro[indene-1,4'-piperidine]
• IUPAC Traditional name: 1'-[1-(2-methoxyethyl)pyrrolidine-3-carbonyl]spiro[indene-1,4'-piperidine]
• Synonyms: 1'-{[1-(2-methoxyethyl)pyrrolidin-3-yl]carbonyl}spiro[indene-1,4'-piperidine]

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.3296913
• LogD (pH = 7.4): 0.22420464
• Log P: 1.9097631
• Molar Refractivity: 101.8904 cm^3
• Polarizability: 39.026234 Å^3
• Polar Surface Area: 32.78 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: 2.35
• LOG S: -3.69
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 4