1-cyclohexyl-N-[2-(pyridin-4-yl)ethyl]piperidine-4-carboxamide

• ChemBase ID: 863380
• Molecular Formular: C19H29N3O
• Molecular Mass: 315.45306
• Monoisotopic Mass: 315.23106256
• SMILES: N1(CCC(C(=O)NCCc2ccncc2)CC1)C1CCCCC1
• Canonical SMILES: O=C(C1CCN(CC1)C1CCCCC1)NCCc1ccncc1
• InChI: InChI=1S/C19H29N3O/c23-19(21-13-8-16-6-11-20-12-7-16)17-9-14-22(15-10-17)18-4-2-1-3-5-18/h6-7,11-12,17-18H,1-5,8-10,13-15H2,(H,21,23)
• InChIKey: USMBMIMQSDKBNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexyl-N-[2-(pyridin-4-yl)ethyl]piperidine-4-carboxamide
• IUPAC Traditional name: 1-cyclohexyl-N-[2-(pyridin-4-yl)ethyl]piperidine-4-carboxamide
• Synonyms: 1-cyclohexyl-N-[2-(4-pyridinyl)ethyl]-4-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.822839
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.3100833
• LogD (pH = 7.4): -0.36918095
• Log P: 2.274746
• Molar Refractivity: 93.3138 cm^3
• Polarizability: 36.492012 Å^3
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.28
• LOG S: -2.15
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 5