N3-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]piperidine-1,3-dicarboxamide

• ChemBase ID: 835651
• Molecular Formular: C20H29N3O2
• Molecular Mass: 343.46316
• Monoisotopic Mass: 343.22597718
• SMILES: N1(C(=O)N)CC(C(=O)NC(CC2Cc3c(C2)cccc3)(C)C)CCC1
• Canonical SMILES: O=C(C1CCCN(C1)C(=O)N)NC(CC1Cc2c(C1)cccc2)(C)C
• InChI: InChI=1S/C20H29N3O2/c1-20(2,12-14-10-15-6-3-4-7-16(15)11-14)22-18(24)17-8-5-9-23(13-17)19(21)25/h3-4,6-7,14,17H,5,8-13H2,1-2H3,(H2,21,25)(H,22,24)
• InChIKey: ZFWPZYIBYGZXAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N3-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]piperidine-1,3-dicarboxamide
• IUPAC Traditional name: N3-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]piperidine-1,3-dicarboxamide
• Synonyms: N~3~-[2-(2,3-dihydro-1H-inden-2-yl)-1,1-dimethylethyl]-1,3-piperidinedicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.520456
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.2208388
• LogD (pH = 7.4): 2.220839
• Log P: 2.220839
• Molar Refractivity: 98.696 cm^3
• Polarizability: 38.05025 Å^3
• Polar Surface Area: 75.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 1.64
• LOG S: -3.1
• Polar Surface Area: 75.43 Å^2
• Rotatable Bonds: 4