N-(furan-2-ylmethyl)-1-(2-methoxyacetyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

• ChemBase ID: 623867
• Molecular Formular: C20H25N3O4
• Molecular Mass: 371.4302
• Monoisotopic Mass: 371.1845063
• SMILES: C(=O)(N(Cc1occc1)Cc1ncccc1)C1CN(C(=O)COC)CCC1
• Canonical SMILES: COCC(=O)N1CCCC(C1)C(=O)N(Cc1ccco1)Cc1ccccn1
• InChI: InChI=1S/C20H25N3O4/c1-26-15-19(24)22-10-4-6-16(12-22)20(25)23(14-18-8-5-11-27-18)13-17-7-2-3-9-21-17/h2-3,5,7-9,11,16H,4,6,10,12-15H2,1H3
• InChIKey: ULLHSPRYYOAAFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-2-ylmethyl)-1-(2-methoxyacetyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
• IUPAC Traditional name: N-(furan-2-ylmethyl)-1-(2-methoxyacetyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
• Synonyms: N-(2-furylmethyl)-1-(methoxyacetyl)-N-(2-pyridinylmethyl)-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.830074
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.46769154
• LogD (pH = 7.4): 0.4851349
• Log P: 0.48536223
• Molar Refractivity: 99.4932 cm^3
• Polarizability: 38.55427 Å^3
• Polar Surface Area: 75.88 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.32
• LOG S: -2.19
• Polar Surface Area: 75.88 Å^2
• Rotatable Bonds: 7