1-cyclobutyl-N-[3-(1H-indol-2-yl)phenyl]piperidine-4-carboxamide

• ChemBase ID: 452598
• Molecular Formular: C24H27N3O
• Molecular Mass: 373.49068
• Monoisotopic Mass: 373.2154125
• SMILES: c1([nH]c2c(c1)cccc2)c1cc(NC(=O)C2CCN(CC2)C2CCC2)ccc1
• Canonical SMILES: O=C(C1CCN(CC1)C1CCC1)Nc1cccc(c1)c1cc2c([nH]1)cccc2
• InChI: InChI=1S/C24H27N3O/c28-24(17-11-13-27(14-12-17)21-8-4-9-21)25-20-7-3-6-18(15-20)23-16-19-5-1-2-10-22(19)26-23/h1-3,5-7,10,15-17,21,26H,4,8-9,11-14H2,(H,25,28)
• InChIKey: OAPULJOXHOJZTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclobutyl-N-[3-(1H-indol-2-yl)phenyl]piperidine-4-carboxamide
• IUPAC Traditional name: 1-cyclobutyl-N-[3-(1H-indol-2-yl)phenyl]piperidine-4-carboxamide
• Synonyms: 1-cyclobutyl-N-[3-(1H-indol-2-yl)phenyl]-4-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.810961
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.91038954
• LogD (pH = 7.4): 2.256018
• Log P: 4.2737036
• Molar Refractivity: 114.5597 cm^3
• Polarizability: 46.283443 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: -5.96
• Polar Surface Area: 48.13 Å^2
• Rotatable Bonds: 4