1-cyclopentanecarbonyl-N-[2-(furan-2-yl)-2-hydroxyethyl]piperidine-4-carboxamide

• ChemBase ID: 617263
• Molecular Formular: C18H26N2O4
• Molecular Mass: 334.41004
• Monoisotopic Mass: 334.18925732
• SMILES: N1(C(=O)C2CCCC2)CCC(C(=O)NCC(c2occc2)O)CC1
• Canonical SMILES: O=C(C1CCN(CC1)C(=O)C1CCCC1)NCC(c1ccco1)O
• InChI: InChI=1S/C18H26N2O4/c21-15(16-6-3-11-24-16)12-19-17(22)13-7-9-20(10-8-13)18(23)14-4-1-2-5-14/h3,6,11,13-15,21H,1-2,4-5,7-10,12H2,(H,19,22)
• InChIKey: QMSKISDXJIIKQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentanecarbonyl-N-[2-(furan-2-yl)-2-hydroxyethyl]piperidine-4-carboxamide
• IUPAC Traditional name: 1-cyclopentanecarbonyl-N-[2-(furan-2-yl)-2-hydroxyethyl]piperidine-4-carboxamide
• Synonyms: 1-(cyclopentylcarbonyl)-N-[2-(2-furyl)-2-hydroxyethyl]-4-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.046396
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.7302254
• LogD (pH = 7.4): 0.73022527
• Log P: 0.7302263
• Molar Refractivity: 88.9273 cm^3
• Polarizability: 34.594296 Å^3
• Polar Surface Area: 82.78 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.85
• LOG S: -2.36
• Polar Surface Area: 82.78 Å^2
• Rotatable Bonds: 5