2-(4-hydroxypiperidin-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide

• ChemBase ID: 340516
• Molecular Formular: C21H33N3O2
• Molecular Mass: 359.50562
• Monoisotopic Mass: 359.25727731
• SMILES: C(=O)(NC1CN(CCCc2ccccc2)CCC1)CN1CCC(CC1)O
• Canonical SMILES: OC1CCN(CC1)CC(=O)NC1CCCN(C1)CCCc1ccccc1
• InChI: InChI=1S/C21H33N3O2/c25-20-10-14-24(15-11-20)17-21(26)22-19-9-5-13-23(16-19)12-4-8-18-6-2-1-3-7-18/h1-3,6-7,19-20,25H,4-5,8-17H2,(H,22,26)
• InChIKey: XEULUDSGKPHHJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-hydroxypiperidin-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
• IUPAC Traditional name: 2-(4-hydroxypiperidin-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
• Synonyms: 2-(4-hydroxy-1-piperidinyl)-N-[1-(3-phenylpropyl)-3-piperidinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.06332
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.002292
• LogD (pH = 7.4): -0.029176258
• Log P: 1.3448578
• Molar Refractivity: 105.7148 cm^3
• Polarizability: 41.302322 Å^3
• Polar Surface Area: 55.81 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.98
• LOG S: -2.17
• Polar Surface Area: 55.81 Å^2
• Rotatable Bonds: 7