4-[2-(2,3-dihydro-1H-inden-1-yl)acetamido]-N-phenylpiperidine-1-carboxamide

• ChemBase ID: 436789
• Molecular Formular: C23H27N3O2
• Molecular Mass: 377.47938
• Monoisotopic Mass: 377.21032712
• SMILES: C(=O)(N1CCC(NC(=O)CC2c3c(CC2)cccc3)CC1)Nc1ccccc1
• Canonical SMILES: O=C(CC1CCc2c1cccc2)NC1CCN(CC1)C(=O)Nc1ccccc1
• InChI: InChI=1S/C23H27N3O2/c27-22(16-18-11-10-17-6-4-5-9-21(17)18)24-20-12-14-26(15-13-20)23(28)25-19-7-2-1-3-8-19/h1-9,18,20H,10-16H2,(H,24,27)(H,25,28)
• InChIKey: DVORCGAHQDNLCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(2,3-dihydro-1H-inden-1-yl)acetamido]-N-phenylpiperidine-1-carboxamide
• IUPAC Traditional name: 4-[2-(2,3-dihydro-1H-inden-1-yl)acetamido]-N-phenylpiperidine-1-carboxamide
• Synonyms: 4-[(2,3-dihydro-1H-inden-1-ylacetyl)amino]-N-phenylpiperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.421778
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.97041
• LogD (pH = 7.4): 2.9704099
• Log P: 2.9704103
• Molar Refractivity: 111.3272 cm^3
• Polarizability: 42.18398 Å^3
• Polar Surface Area: 61.44 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: 2.83
• LOG S: -4.37
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 4