N-[1-(piperidine-1-carbonyl)piperidin-4-yl]-2-(pyridin-3-yl)acetamide

• ChemBase ID: 508712
• Molecular Formular: C18H26N4O2
• Molecular Mass: 330.42464
• Monoisotopic Mass: 330.20557609
• SMILES: C(=O)(N1CCC(NC(=O)Cc2cnccc2)CC1)N1CCCCC1
• Canonical SMILES: O=C(Cc1cccnc1)NC1CCN(CC1)C(=O)N1CCCCC1
• InChI: InChI=1S/C18H26N4O2/c23-17(13-15-5-4-8-19-14-15)20-16-6-11-22(12-7-16)18(24)21-9-2-1-3-10-21/h4-5,8,14,16H,1-3,6-7,9-13H2,(H,20,23)
• InChIKey: NBDYFRYQYMWMLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(piperidine-1-carbonyl)piperidin-4-yl]-2-(pyridin-3-yl)acetamide
• IUPAC Traditional name: N-[1-(piperidine-1-carbonyl)piperidin-4-yl]-2-(pyridin-3-yl)acetamide
• Synonyms: N-[1-(piperidin-1-ylcarbonyl)piperidin-4-yl]-2-pyridin-3-ylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.448614
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.053114608
• LogD (pH = 7.4): 0.026781322
• Log P: 0.027928324
• Molar Refractivity: 92.262 cm^3
• Polarizability: 35.473274 Å^3
• Polar Surface Area: 65.54 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.51
• LOG S: -0.74
• Polar Surface Area: 65.54 Å^2
• Rotatable Bonds: 3