N-(2,3-dihydro-1H-inden-2-yl)-4-(piperidin-3-yl)benzamide

• ChemBase ID: 476585
• Molecular Formular: C21H24N2O
• Molecular Mass: 320.42806
• Monoisotopic Mass: 320.1888634
• SMILES: C(=O)(NC1Cc2c(C1)cccc2)c1ccc(cc1)C1CNCCC1
• Canonical SMILES: O=C(c1ccc(cc1)C1CCCNC1)NC1Cc2c(C1)cccc2
• InChI: InChI=1S/C21H24N2O/c24-21(23-20-12-17-4-1-2-5-18(17)13-20)16-9-7-15(8-10-16)19-6-3-11-22-14-19/h1-2,4-5,7-10,19-20,22H,3,6,11-14H2,(H,23,24)
• InChIKey: RNZFWWQVXYQHIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,3-dihydro-1H-inden-2-yl)-4-(piperidin-3-yl)benzamide
• IUPAC Traditional name: N-(2,3-dihydro-1H-inden-2-yl)-4-(piperidin-3-yl)benzamide
• Synonyms: N-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-3-ylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.217911
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.12499487
• LogD (pH = 7.4): 0.8364362
• Log P: 3.3433707
• Molar Refractivity: 97.7245 cm^3
• Polarizability: 37.497063 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.51
• LOG S: -4.53
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 3