N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

• ChemBase ID: 428777
• Molecular Formular: C22H42N4O
• Molecular Mass: 378.59508
• Monoisotopic Mass: 378.33586198
• SMILES: N1(C2CCN(CC2)C)CC(NC(=O)CC2CC(NC(C2)(C)C)(C)C)CCC1
• Canonical SMILES: CN1CCC(CC1)N1CCCC(C1)NC(=O)CC1CC(C)(C)NC(C1)(C)C
• InChI: InChI=1S/C22H42N4O/c1-21(2)14-17(15-22(3,4)24-21)13-20(27)23-18-7-6-10-26(16-18)19-8-11-25(5)12-9-19/h17-19,24H,6-16H2,1-5H3,(H,23,27)
• InChIKey: WYFWVDHCNSSSHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
• IUPAC Traditional name: N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
• Synonyms: N-(1'-methyl-1,4'-bipiperidin-3-yl)-2-(2,2,6,6-tetramethyl-4-piperidinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.18571
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -6.655662
• LogD (pH = 7.4): -3.578393
• Log P: 1.3908857
• Molar Refractivity: 113.1647 cm^3
• Polarizability: 44.862057 Å^3
• Polar Surface Area: 47.61 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.38
• LOG S: -2.38
• Polar Surface Area: 47.61 Å^2
• Rotatable Bonds: 4