2-hydroxy-N-({1-[(2E)-3-phenylprop-2-en-1-yl]piperidin-3-yl}methyl)acetamide

• ChemBase ID: 691648
• Molecular Formular: C17H24N2O2
• Molecular Mass: 288.38466
• Monoisotopic Mass: 288.18377802
• SMILES: N1(CC(CNC(=O)CO)CCC1)C/C=C/c1ccccc1
• Canonical SMILES: OCC(=O)NCC1CCCN(C1)C/C=C/c1ccccc1
• InChI: InChI=1S/C17H24N2O2/c20-14-17(21)18-12-16-9-5-11-19(13-16)10-4-8-15-6-2-1-3-7-15/h1-4,6-8,16,20H,5,9-14H2,(H,18,21)/b8-4+
• InChIKey: UQAMVBHGJMNOQS-XBXARRHUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-N-({1-[(2E)-3-phenylprop-2-en-1-yl]piperidin-3-yl}methyl)acetamide
• IUPAC Traditional name: 2-hydroxy-N-({1-[(2E)-3-phenylprop-2-en-1-yl]piperidin-3-yl}methyl)acetamide
• Synonyms: 2-hydroxy-N-({1-[(2E)-3-phenylprop-2-en-1-yl]piperidin-3-yl}methyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.635751
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.6214651
• LogD (pH = 7.4): 0.1326623
• Log P: 1.239492
• Molar Refractivity: 86.1663 cm^3
• Polarizability: 33.046482 Å^3
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.6
• LOG S: -2.67
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 6