1-cyclopentyl-N-[4-(pyridin-3-yloxy)phenyl]piperidine-2-carboxamide

• ChemBase ID: 697375
• Molecular Formular: C22H27N3O2
• Molecular Mass: 365.46868
• Monoisotopic Mass: 365.21032712
• SMILES: N1(C(C(=O)Nc2ccc(Oc3cnccc3)cc2)CCCC1)C1CCCC1
• Canonical SMILES: O=C(C1CCCCN1C1CCCC1)Nc1ccc(cc1)Oc1cccnc1
• InChI: InChI=1S/C22H27N3O2/c26-22(21-9-3-4-15-25(21)18-6-1-2-7-18)24-17-10-12-19(13-11-17)27-20-8-5-14-23-16-20/h5,8,10-14,16,18,21H,1-4,6-7,9,15H2,(H,24,26)
• InChIKey: CAGJKLHHMLIEAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentyl-N-[4-(pyridin-3-yloxy)phenyl]piperidine-2-carboxamide
• IUPAC Traditional name: 1-cyclopentyl-N-[4-(pyridin-3-yloxy)phenyl]piperidine-2-carboxamide
• Synonyms: 1-cyclopentyl-N-[4-(3-pyridinyloxy)phenyl]-2-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.690928
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0540153
• LogD (pH = 7.4): 2.873026
• Log P: 3.8020937
• Molar Refractivity: 106.7344 cm^3
• Polarizability: 41.2821 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: 4.27
• LOG S: -3.88
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 5