1-cyclobutanecarbonyl-N-[(5-methoxy-1H-indol-2-yl)methyl]piperidine-4-carboxamide

• ChemBase ID: 695062
• Molecular Formular: C21H27N3O3
• Molecular Mass: 369.45738
• Monoisotopic Mass: 369.20524174
• SMILES: [nH]1c(cc2c1ccc(c2)OC)CNC(=O)C1CCN(C(=O)C2CCC2)CC1
• Canonical SMILES: COc1ccc2c(c1)cc([nH]2)CNC(=O)C1CCN(CC1)C(=O)C1CCC1
• InChI: InChI=1S/C21H27N3O3/c1-27-18-5-6-19-16(12-18)11-17(23-19)13-22-20(25)14-7-9-24(10-8-14)21(26)15-3-2-4-15/h5-6,11-12,14-15,23H,2-4,7-10,13H2,1H3,(H,22,25)
• InChIKey: GLVVODOLUJHEOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclobutanecarbonyl-N-[(5-methoxy-1H-indol-2-yl)methyl]piperidine-4-carboxamide
• IUPAC Traditional name: 1-cyclobutanecarbonyl-N-[(5-methoxy-1H-indol-2-yl)methyl]piperidine-4-carboxamide
• Synonyms: 1-(cyclobutylcarbonyl)-N-[(5-methoxy-1H-indol-2-yl)methyl]-4-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.387908
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.7168373
• LogD (pH = 7.4): 1.7168378
• Log P: 1.7168378
• Molar Refractivity: 103.4001 cm^3
• Polarizability: 41.09955 Å^3
• Polar Surface Area: 74.43 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: 1.51
• LOG S: -3.18
• Polar Surface Area: 74.43 Å^2
• Rotatable Bonds: 5