1-cyclopentyl-N-[2-(pyridin-3-yloxy)phenyl]piperidine-3-carboxamide

• ChemBase ID: 819534
• Molecular Formular: C22H27N3O2
• Molecular Mass: 365.46868
• Monoisotopic Mass: 365.21032712
• SMILES: C(=O)(C1CN(C2CCCC2)CCC1)Nc1c(Oc2cnccc2)cccc1
• Canonical SMILES: O=C(C1CCCN(C1)C1CCCC1)Nc1ccccc1Oc1cccnc1
• InChI: InChI=1S/C22H27N3O2/c26-22(17-7-6-14-25(16-17)18-8-1-2-9-18)24-20-11-3-4-12-21(20)27-19-10-5-13-23-15-19/h3-5,10-13,15,17-18H,1-2,6-9,14,16H2,(H,24,26)
• InChIKey: JEMYZIANYKODRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentyl-N-[2-(pyridin-3-yloxy)phenyl]piperidine-3-carboxamide
• IUPAC Traditional name: 1-cyclopentyl-N-[2-(pyridin-3-yloxy)phenyl]piperidine-3-carboxamide
• Synonyms: 1-cyclopentyl-N-[2-(3-pyridinyloxy)phenyl]-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.220761
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.0076705506
• LogD (pH = 7.4): 1.0104406
• Log P: 3.490806
• Molar Refractivity: 106.9904 cm^3
• Polarizability: 41.28416 Å^3
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.33
• LOG S: -4.21
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 5