2-(dimethylamino)-2-(3-methylphenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide

• ChemBase ID: 356180
• Molecular Formular: C22H30N4O
• Molecular Mass: 366.4998
• Monoisotopic Mass: 366.2419616
• SMILES: C(=O)(C(c1cc(ccc1)C)N(C)C)NC1CCN(Cc2ncccc2)CC1
• Canonical SMILES: Cc1cccc(c1)C(C(=O)NC1CCN(CC1)Cc1ccccn1)N(C)C
• InChI: InChI=1S/C22H30N4O/c1-17-7-6-8-18(15-17)21(25(2)3)22(27)24-19-10-13-26(14-11-19)16-20-9-4-5-12-23-20/h4-9,12,15,19,21H,10-11,13-14,16H2,1-3H3,(H,24,27)
• InChIKey: SEKPIYVBNMYGIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.361868
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.4001272
• LogD (pH = 7.4): 1.6590503
• Log P: 2.1498158
• Molar Refractivity: 109.5753 cm^3
• Polarizability: 42.74909 Å^3
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.94
• LOG S: -2.23
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 6