N-(propan-2-yl)-1-[1-(propan-2-yl)piperidin-4-yl]piperidine-4-carboxamide

• ChemBase ID: 404288
• Molecular Formular: C17H33N3O
• Molecular Mass: 295.46342
• Monoisotopic Mass: 295.26236269
• SMILES: C(=O)(NC(C)C)C1CCN(C2CCN(CC2)C(C)C)CC1
• Canonical SMILES: CC(NC(=O)C1CCN(CC1)C1CCN(CC1)C(C)C)C
• InChI: InChI=1S/C17H33N3O/c1-13(2)18-17(21)15-5-9-20(10-6-15)16-7-11-19(12-8-16)14(3)4/h13-16H,5-12H2,1-4H3,(H,18,21)
• InChIKey: ANJKSIMCWKBGFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(propan-2-yl)-1-[1-(propan-2-yl)piperidin-4-yl]piperidine-4-carboxamide
• IUPAC Traditional name: N-isopropyl-1-(1-isopropylpiperidin-4-yl)piperidine-4-carboxamide
• Synonyms: N,1'-diisopropyl-1,4'-bipiperidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.994189
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.208036
• LogD (pH = 7.4): -1.6563351
• Log P: 1.2535857
• Molar Refractivity: 88.8748 cm^3
• Polarizability: 34.849754 Å^3
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.28
• LOG S: -1.56
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 2