2-(piperidin-1-yl)-N-[1-(pyridin-3-yl)propan-2-yl]-2,3-dihydro-1H-indene-2-carboxamide

• ChemBase ID: 423758
• Molecular Formular: C23H29N3O
• Molecular Mass: 363.49586
• Monoisotopic Mass: 363.23106256
• SMILES: C1(C(=O)NC(Cc2cnccc2)C)(N2CCCCC2)Cc2c(C1)cccc2
• Canonical SMILES: CC(NC(=O)C1(Cc2c(C1)cccc2)N1CCCCC1)Cc1cccnc1
• InChI: InChI=1S/C23H29N3O/c1-18(14-19-8-7-11-24-17-19)25-22(27)23(26-12-5-2-6-13-26)15-20-9-3-4-10-21(20)16-23/h3-4,7-11,17-18H,2,5-6,12-16H2,1H3,(H,25,27)
• InChIKey: RXTHMUBTBCDKIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-1-yl)-N-[1-(pyridin-3-yl)propan-2-yl]-2,3-dihydro-1H-indene-2-carboxamide
• IUPAC Traditional name: 2-(piperidin-1-yl)-N-[1-(pyridin-3-yl)propan-2-yl]-1,3-dihydroindene-2-carboxamide
• Synonyms: N-[1-methyl-2-(3-pyridinyl)ethyl]-2-(1-piperidinyl)-2-indanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.318587
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.64185196
• LogD (pH = 7.4): 2.4891334
• Log P: 3.4882264
• Molar Refractivity: 108.9503 cm^3
• Polarizability: 42.415928 Å^3
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.2
• LOG S: -3.75
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 5