(2R)-2-amino-2-phenyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]acetamide

• ChemBase ID: 785499
• Molecular Formular: C19H24N4O
• Molecular Mass: 324.42006
• Monoisotopic Mass: 324.19501141
• SMILES: C(=O)(NC1CCN(Cc2cnccc2)CC1)[C@@H](c1ccccc1)N
• Canonical SMILES: N[C@H](c1ccccc1)C(=O)NC1CCN(CC1)Cc1cccnc1
• InChI: InChI=1S/C19H24N4O/c20-18(16-6-2-1-3-7-16)19(24)22-17-8-11-23(12-9-17)14-15-5-4-10-21-13-15/h1-7,10,13,17-18H,8-9,11-12,14,20H2,(H,22,24)/t18-/m1/s1
• InChIKey: VIOIVSHKYAEDOD-GOSISDBHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino-2-phenyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]acetamide
• IUPAC Traditional name: (2R)-2-amino-2-phenyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]acetamide
• Synonyms: (2R)-2-amino-2-phenyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.220019
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.857984
• LogD (pH = 7.4): -0.42490217
• Log P: 0.7392941
• Molar Refractivity: 94.987 cm^3
• Polarizability: 37.292786 Å^3
• Polar Surface Area: 71.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.51
• LOG S: -0.7
• Polar Surface Area: 71.25 Å^2
• Rotatable Bonds: 5