6-oxo-1-(3-phenylpropyl)-N-[3-(pyridin-3-yloxy)propyl]piperidine-3-carboxamide

• ChemBase ID: 736313
• Molecular Formular: C23H29N3O3
• Molecular Mass: 395.49466
• Monoisotopic Mass: 395.2208918
• SMILES: N1(C(=O)CCC(C(=O)NCCCOc2cnccc2)C1)CCCc1ccccc1
• Canonical SMILES: O=C(C1CCC(=O)N(C1)CCCc1ccccc1)NCCCOc1cccnc1
• InChI: InChI=1S/C23H29N3O3/c27-22-12-11-20(18-26(22)15-5-9-19-7-2-1-3-8-19)23(28)25-14-6-16-29-21-10-4-13-24-17-21/h1-4,7-8,10,13,17,20H,5-6,9,11-12,14-16,18H2,(H,25,28)
• InChIKey: GWKIKXJSQMKGRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-oxo-1-(3-phenylpropyl)-N-[3-(pyridin-3-yloxy)propyl]piperidine-3-carboxamide
• IUPAC Traditional name: 6-oxo-1-(3-phenylpropyl)-N-[3-(pyridin-3-yloxy)propyl]piperidine-3-carboxamide
• Synonyms: 6-oxo-1-(3-phenylpropyl)-N-[3-(3-pyridinyloxy)propyl]-3-piperidinecarboxamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• H Donor: 1
• Log P: 2.83
• LOG S: -3.91
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 10
• H Acceptors: 4

JChem

• LogD (pH = 5.5): 1.7582027
• LogD (pH = 7.4): 1.8270884
• Log P: 1.8280607
• Molar Refractivity: 111.7897 cm^3
• Polarizability: 43.488464 Å^3
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true
• Acid pKa: 15.402186
• H Acceptors: 4
• H Donor: 1