1-(2-methoxyacetyl)-N-[1-(pyridin-3-yl)pentyl]piperidine-4-carboxamide

• ChemBase ID: 734731
• Molecular Formular: C19H29N3O3
• Molecular Mass: 347.45186
• Monoisotopic Mass: 347.2208918
• SMILES: N1(C(=O)COC)CCC(C(=O)NC(c2cnccc2)CCCC)CC1
• Canonical SMILES: CCCCC(c1cccnc1)NC(=O)C1CCN(CC1)C(=O)COC
• InChI: InChI=1S/C19H29N3O3/c1-3-4-7-17(16-6-5-10-20-13-16)21-19(24)15-8-11-22(12-9-15)18(23)14-25-2/h5-6,10,13,15,17H,3-4,7-9,11-12,14H2,1-2H3,(H,21,24)
• InChIKey: DPYMLKJYEZHONS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyacetyl)-N-[1-(pyridin-3-yl)pentyl]piperidine-4-carboxamide
• IUPAC Traditional name: 1-(2-methoxyacetyl)-N-[1-(pyridin-3-yl)pentyl]piperidine-4-carboxamide
• Synonyms: 1-(methoxyacetyl)-N-[1-(3-pyridinyl)pentyl]-4-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• H Donor: 1
• LogD (pH = 5.5): 0.9990068
• LogD (pH = 7.4): 1.0668653
• Log P: 1.0678217
• Molar Refractivity: 96.414 cm^3
• Polarizability: 37.59696 Å^3
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true
• Acid pKa: 15.334234
• H Acceptors: 4

供应商提供(Chembridge)

• H Donor: 1
• Log P: 1.03
• LOG S: -1.31
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 8
• H Acceptors: 4