N-[(3R,4R)-3-hydroxypiperidin-4-yl]-4-(2-phenylethoxy)benzamide

• ChemBase ID: 639899
• Molecular Formular: C20H24N2O3
• Molecular Mass: 340.41616
• Monoisotopic Mass: 340.17869264
• SMILES: C(=O)(N[C@H]1[C@H](O)CNCC1)c1ccc(cc1)OCCc1ccccc1
• Canonical SMILES: O[C@@H]1CNCC[C@H]1NC(=O)c1ccc(cc1)OCCc1ccccc1
• InChI: InChI=1S/C20H24N2O3/c23-19-14-21-12-10-18(19)22-20(24)16-6-8-17(9-7-16)25-13-11-15-4-2-1-3-5-15/h1-9,18-19,21,23H,10-14H2,(H,22,24)/t18-,19-/m1/s1
• InChIKey: CGCVLVRRKBEHKA-RTBURBONSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3R,4R)-3-hydroxypiperidin-4-yl]-4-(2-phenylethoxy)benzamide
• IUPAC Traditional name: N-[(3R,4R)-3-hydroxypiperidin-4-yl]-4-(2-phenylethoxy)benzamide
• Synonyms: N-[(3R*,4R*)-3-hydroxypiperidin-4-yl]-4-(2-phenylethoxy)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.172078
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.3007624
• LogD (pH = 7.4): -0.13130169
• Log P: 1.8564887
• Molar Refractivity: 97.1174 cm^3
• Polarizability: 37.658787 Å^3
• Polar Surface Area: 70.59 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 2.01
• LOG S: -3.4
• Polar Surface Area: 70.59 Å^2
• Rotatable Bonds: 6