N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]oxolane-3-carboxamide

• ChemBase ID: 318567
• Molecular Formular: C17H30N2O2
• Molecular Mass: 294.4323
• Monoisotopic Mass: 294.23072821
• SMILES: N1(CCC(CC1)CCNC(=O)C1COCC1)C1CCCC1
• Canonical SMILES: O=C(C1CCOC1)NCCC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C17H30N2O2/c20-17(15-8-12-21-13-15)18-9-5-14-6-10-19(11-7-14)16-3-1-2-4-16/h14-16H,1-13H2,(H,18,20)
• InChIKey: ANGVZBRZKVTLJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]oxolane-3-carboxamide
• IUPAC Traditional name: N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]oxolane-3-carboxamide
• Synonyms: N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]tetrahydrofuran-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.050087
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.9478256
• LogD (pH = 7.4): -1.3070537
• Log P: 1.534456
• Molar Refractivity: 84.7186 cm^3
• Polarizability: 33.28011 Å^3
• Polar Surface Area: 41.57 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: 1.28
• LOG S: -2.44
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5