1-cyclobutyl-N-[4-(1H-indol-2-yl)phenyl]piperidine-4-carboxamide

• ChemBase ID: 616995
• Molecular Formular: C24H27N3O
• Molecular Mass: 373.49068
• Monoisotopic Mass: 373.2154125
• SMILES: c1([nH]c2c(c1)cccc2)c1ccc(NC(=O)C2CCN(CC2)C2CCC2)cc1
• Canonical SMILES: O=C(C1CCN(CC1)C1CCC1)Nc1ccc(cc1)c1cc2c([nH]1)cccc2
• InChI: InChI=1S/C24H27N3O/c28-24(18-12-14-27(15-13-18)21-5-3-6-21)25-20-10-8-17(9-11-20)23-16-19-4-1-2-7-22(19)26-23/h1-2,4,7-11,16,18,21,26H,3,5-6,12-15H2,(H,25,28)
• InChIKey: MNKWPSHVRFZICM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclobutyl-N-[4-(1H-indol-2-yl)phenyl]piperidine-4-carboxamide
• IUPAC Traditional name: 1-cyclobutyl-N-[4-(1H-indol-2-yl)phenyl]piperidine-4-carboxamide
• Synonyms: 1-cyclobutyl-N-[4-(1H-indol-2-yl)phenyl]-4-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.9191265
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.9087303
• LogD (pH = 7.4): 2.2501507
• Log P: 4.2737036
• Molar Refractivity: 114.5597 cm^3
• Polarizability: 46.282 Å^3
• Polar Surface Area: 48.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.96
• LOG S: -6.02
• Polar Surface Area: 48.13 Å^2
• Rotatable Bonds: 4