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

• ChemBase ID: 332274
• Molecular Formular: C24H31N3O2
• Molecular Mass: 393.52184
• Monoisotopic Mass: 393.24162725
• SMILES: C(=O)(Nc1ccc(Oc2cnccc2)cc1)C1CCN(CC2CCCCC2)CC1
• Canonical SMILES: O=C(C1CCN(CC1)CC1CCCCC1)Nc1ccc(cc1)Oc1cccnc1
• InChI: InChI=1S/C24H31N3O2/c28-24(20-12-15-27(16-13-20)18-19-5-2-1-3-6-19)26-21-8-10-22(11-9-21)29-23-7-4-14-25-17-23/h4,7-11,14,17,19-20H,1-3,5-6,12-13,15-16,18H2,(H,26,28)
• InChIKey: POZCOJFTWSNHHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.431674
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.58122134
• LogD (pH = 7.4): 1.4808061
• Log P: 4.09448
• Molar Refractivity: 116.4762 cm^3
• Polarizability: 44.969437 Å^3
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.3
• LOG S: -4.95
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 6