N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-1H-indole-2-carboxamide

• ChemBase ID: 556766
• Molecular Formular: C24H27N3O
• Molecular Mass: 373.49068
• Monoisotopic Mass: 373.2154125
• SMILES: c1(C(=O)N(C2CN(C3Cc4c(C3)cccc4)CCC2)C)[nH]c2c(c1)cccc2
• Canonical SMILES: O=C(N(C1CCCN(C1)C1Cc2c(C1)cccc2)C)c1cc2c([nH]1)cccc2
• InChI: InChI=1S/C24H27N3O/c1-26(24(28)23-15-19-9-4-5-11-22(19)25-23)20-10-6-12-27(16-20)21-13-17-7-2-3-8-18(17)14-21/h2-5,7-9,11,15,20-21,25H,6,10,12-14,16H2,1H3
• InChIKey: KFBOLNXOVLRAHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-1H-indole-2-carboxamide
• IUPAC Traditional name: N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-1H-indole-2-carboxamide
• Synonyms: N-[1-(2,3-dihydro-1H-inden-2-yl)-3-piperidinyl]-N-methyl-1H-indole-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.328511
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.81475085
• LogD (pH = 7.4): 2.4981415
• Log P: 3.8870003
• Molar Refractivity: 113.4715 cm^3
• Polarizability: 44.507847 Å^3
• Polar Surface Area: 39.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.98
• LOG S: -5.34
• Polar Surface Area: 39.34 Å^2
• Rotatable Bonds: 3