N-butyl-2-(piperidin-1-yl)-2,3-dihydro-1H-indene-2-carboxamide

• ChemBase ID: 520980
• Molecular Formular: C19H28N2O
• Molecular Mass: 300.43842
• Monoisotopic Mass: 300.22016353
• SMILES: C1(N2CCCCC2)(Cc2c(C1)cccc2)C(=O)NCCCC
• Canonical SMILES: CCCCNC(=O)C1(Cc2c(C1)cccc2)N1CCCCC1
• InChI: InChI=1S/C19H28N2O/c1-2-3-11-20-18(22)19(21-12-7-4-8-13-21)14-16-9-5-6-10-17(16)15-19/h5-6,9-10H,2-4,7-8,11-15H2,1H3,(H,20,22)
• InChIKey: PKHDXRSRQOPRFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-butyl-2-(piperidin-1-yl)-2,3-dihydro-1H-indene-2-carboxamide
• IUPAC Traditional name: N-butyl-2-(piperidin-1-yl)-1,3-dihydroindene-2-carboxamide
• Synonyms: N-butyl-2-(1-piperidinyl)-2-indanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.809909
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.83224255
• LogD (pH = 7.4): 2.599936
• Log P: 3.6000884
• Molar Refractivity: 91.1944 cm^3
• Polarizability: 35.560684 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.84
• LOG S: -4.67
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 5