N-cyclopropyl-1-(furan-2-ylmethyl)-N-(3-phenylprop-2-yn-1-yl)piperidine-3-carboxamide

• ChemBase ID: 403531
• Molecular Formular: C23H26N2O2
• Molecular Mass: 362.46474
• Monoisotopic Mass: 362.19942808
• SMILES: C(=O)(C1CN(Cc2occc2)CCC1)N(C1CC1)CC#Cc1ccccc1
• Canonical SMILES: O=C(N(C1CC1)CC#Cc1ccccc1)C1CCCN(C1)Cc1ccco1
• InChI: InChI=1S/C23H26N2O2/c26-23(20-10-5-14-24(17-20)18-22-11-6-16-27-22)25(21-12-13-21)15-4-9-19-7-2-1-3-8-19/h1-3,6-8,11,16,20-21H,5,10,12-15,17-18H2
• InChIKey: GIBNZNMZEKYBIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-1-(furan-2-ylmethyl)-N-(3-phenylprop-2-yn-1-yl)piperidine-3-carboxamide
• IUPAC Traditional name: N-cyclopropyl-1-(furan-2-ylmethyl)-N-(3-phenylprop-2-yn-1-yl)piperidine-3-carboxamide
• Synonyms: N-cyclopropyl-1-(2-furylmethyl)-N-(3-phenylprop-2-yn-1-yl)piperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.6459963
• LogD (pH = 7.4): 2.399884
• Log P: 3.5081985
• Molar Refractivity: 104.2908 cm^3
• Polarizability: 40.898117 Å^3
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.48
• LOG S: -4.82
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 7