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

• ChemBase ID: 611744
• Molecular Formular: C23H28N2O2
• Molecular Mass: 364.48062
• Monoisotopic Mass: 364.21507815
• SMILES: C1(C(=O)NCc2cc(OC)ccc2)(N2CCCCC2)Cc2c(C1)cccc2
• Canonical SMILES: COc1cccc(c1)CNC(=O)C1(Cc2c(C1)cccc2)N1CCCCC1
• InChI: InChI=1S/C23H28N2O2/c1-27-21-11-7-8-18(14-21)17-24-22(26)23(25-12-5-2-6-13-25)15-19-9-3-4-10-20(19)16-23/h3-4,7-11,14H,2,5-6,12-13,15-17H2,1H3,(H,24,26)
• InChIKey: HWMRPGZGQXICDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.29208
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1332024
• LogD (pH = 7.4): 2.9054153
• Log P: 3.8429914
• Molar Refractivity: 108.3966 cm^3
• Polarizability: 42.141483 Å^3
• Polar Surface Area: 41.57 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: 4.01
• LOG S: -5.28
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5