1-cyclobutanecarbonyl-N-[3-(pyridin-3-yloxy)propyl]piperidine-4-carboxamide

• ChemBase ID: 684108
• Molecular Formular: C19H27N3O3
• Molecular Mass: 345.43598
• Monoisotopic Mass: 345.20524174
• SMILES: N1(C(=O)C2CCC2)CCC(C(=O)NCCCOc2cnccc2)CC1
• Canonical SMILES: O=C(C1CCN(CC1)C(=O)C1CCC1)NCCCOc1cccnc1
• InChI: InChI=1S/C19H27N3O3/c23-18(21-10-3-13-25-17-6-2-9-20-14-17)15-7-11-22(12-8-15)19(24)16-4-1-5-16/h2,6,9,14-16H,1,3-5,7-8,10-13H2,(H,21,23)
• InChIKey: UFVRDVJNXIXPTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclobutanecarbonyl-N-[3-(pyridin-3-yloxy)propyl]piperidine-4-carboxamide
• IUPAC Traditional name: 1-cyclobutanecarbonyl-N-[3-(pyridin-3-yloxy)propyl]piperidine-4-carboxamide
• Synonyms: 1-(cyclobutylcarbonyl)-N-[3-(3-pyridinyloxy)propyl]-4-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.449418
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.54775125
• LogD (pH = 7.4): 0.6166373
• Log P: 0.6176097
• Molar Refractivity: 94.621 cm^3
• Polarizability: 36.864292 Å^3
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.23
• LOG S: -2.77
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 7