3-[1-(3-cyclopentylpropyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide

• ChemBase ID: 544869
• Molecular Formular: C19H36N2O2
• Molecular Mass: 324.50134
• Monoisotopic Mass: 324.2776784
• SMILES: N1(CCC(CCC(=O)NCCOC)CC1)CCCC1CCCC1
• Canonical SMILES: COCCNC(=O)CCC1CCN(CC1)CCCC1CCCC1
• InChI: InChI=1S/C19H36N2O2/c1-23-16-12-20-19(22)9-8-18-10-14-21(15-11-18)13-4-7-17-5-2-3-6-17/h17-18H,2-16H2,1H3,(H,20,22)
• InChIKey: PCBYGQHJFHMQFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[1-(3-cyclopentylpropyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide
• IUPAC Traditional name: 3-[1-(3-cyclopentylpropyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide
• Synonyms: 3-[1-(3-cyclopentylpropyl)-4-piperidinyl]-N-(2-methoxyethyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.003689
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.7038266
• LogD (pH = 7.4): 0.27740744
• Log P: 2.7471063
• Molar Refractivity: 95.7315 cm^3
• Polarizability: 37.693428 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.4
• LOG S: -3.39
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 9