N,2,2,6,6-pentamethyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]piperidin-4-amine

• ChemBase ID: 458201
• Molecular Formular: C20H33N5O
• Molecular Mass: 359.50892
• Monoisotopic Mass: 359.2685107
• SMILES: C(=O)(N1CCC(N(C2CC(NC(C2)(C)C)(C)C)C)CC1)c1nccnc1
• Canonical SMILES: CN(C1CC(C)(C)NC(C1)(C)C)C1CCN(CC1)C(=O)c1cnccn1
• InChI: InChI=1S/C20H33N5O/c1-19(2)12-16(13-20(3,4)23-19)24(5)15-6-10-25(11-7-15)18(26)17-14-21-8-9-22-17/h8-9,14-16,23H,6-7,10-13H2,1-5H3
• InChIKey: KWYOYLBLJDBQKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2,2,6,6-pentamethyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]piperidin-4-amine
• IUPAC Traditional name: N,2,2,6,6-pentamethyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]piperidin-4-amine
• Synonyms: N,2,2,6,6-pentamethyl-N-[1-(pyrazin-2-ylcarbonyl)piperidin-4-yl]piperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -5.8380246
• LogD (pH = 7.4): -3.8877244
• Log P: 0.2866114
• Molar Refractivity: 103.9655 cm^3
• Polarizability: 40.59474 Å^3
• Polar Surface Area: 61.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.48
• LOG S: -3.08
• Polar Surface Area: 61.36 Å^2
• Rotatable Bonds: 3