N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-1-ethyl-6-oxopiperidine-3-carboxamide

• ChemBase ID: 313251
• Molecular Formular: C21H30N2O2
• Molecular Mass: 342.4751
• Monoisotopic Mass: 342.23072821
• SMILES: N1(C(=O)CCC(C(=O)NC(CC2Cc3c(C2)cccc3)(C)C)C1)CC
• Canonical SMILES: CCN1CC(CCC1=O)C(=O)NC(CC1Cc2c(C1)cccc2)(C)C
• InChI: InChI=1S/C21H30N2O2/c1-4-23-14-18(9-10-19(23)24)20(25)22-21(2,3)13-15-11-16-7-5-6-8-17(16)12-15/h5-8,15,18H,4,9-14H2,1-3H3,(H,22,25)
• InChIKey: SVDARCSWAUGOSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-1-ethyl-6-oxopiperidine-3-carboxamide
• IUPAC Traditional name: N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-1-ethyl-6-oxopiperidine-3-carboxamide
• Synonyms: N-[2-(2,3-dihydro-1H-inden-2-yl)-1,1-dimethylethyl]-1-ethyl-6-oxo-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.818663
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.7323978
• LogD (pH = 7.4): 2.732398
• Log P: 2.732398
• Molar Refractivity: 100.1222 cm^3
• Polarizability: 38.75545 Å^3
• Polar Surface Area: 49.41 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: 2.97
• LOG S: -4.23
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 5