N-(1-cyclopentanecarbonylpiperidin-4-yl)-2-(dimethylamino)-2-(4-methylphenyl)acetamide

• ChemBase ID: 656430
• Molecular Formular: C22H33N3O2
• Molecular Mass: 371.51632
• Monoisotopic Mass: 371.25727731
• SMILES: C(=O)(NC1CCN(C(=O)C2CCCC2)CC1)C(c1ccc(cc1)C)N(C)C
• Canonical SMILES: CN(C(c1ccc(cc1)C)C(=O)NC1CCN(CC1)C(=O)C1CCCC1)C
• InChI: InChI=1S/C22H33N3O2/c1-16-8-10-17(11-9-16)20(24(2)3)21(26)23-19-12-14-25(15-13-19)22(27)18-6-4-5-7-18/h8-11,18-20H,4-7,12-15H2,1-3H3,(H,23,26)
• InChIKey: WZTWUHWOABZVBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-cyclopentanecarbonylpiperidin-4-yl)-2-(dimethylamino)-2-(4-methylphenyl)acetamide
• IUPAC Traditional name: N-(1-cyclopentanecarbonylpiperidin-4-yl)-2-(dimethylamino)-2-(4-methylphenyl)acetamide
• Synonyms: N-[1-(cyclopentylcarbonyl)-4-piperidinyl]-2-(dimethylamino)-2-(4-methylphenyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.559392
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.58201206
• LogD (pH = 7.4): 2.1663904
• Log P: 2.457371
• Molar Refractivity: 108.5142 cm^3
• Polarizability: 42.19799 Å^3
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.96
• LOG S: -4.44
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 5