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

• ChemBase ID: 479982
• Molecular Formular: C15H26N4O
• Molecular Mass: 278.39314
• Monoisotopic Mass: 278.21066147
• SMILES: c1(n(ccn1)C(C)C)C1CCN(C(=O)NC(C)C)CC1
• Canonical SMILES: CC(NC(=O)N1CCC(CC1)c1nccn1C(C)C)C
• InChI: InChI=1S/C15H26N4O/c1-11(2)17-15(20)18-8-5-13(6-9-18)14-16-7-10-19(14)12(3)4/h7,10-13H,5-6,8-9H2,1-4H3,(H,17,20)
• InChIKey: XVEZNNMSCNVDAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(propan-2-yl)-4-[1-(propan-2-yl)-1H-imidazol-2-yl]piperidine-1-carboxamide
• IUPAC Traditional name: N-isopropyl-4-(1-isopropylimidazol-2-yl)piperidine-1-carboxamide
• Synonyms: N-isopropyl-4-(1-isopropyl-1H-imidazol-2-yl)-1-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.399597
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.68300134
• LogD (pH = 7.4): 1.322868
• Log P: 1.3519332
• Molar Refractivity: 80.2559 cm^3
• Polarizability: 30.775837 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 1.7
• LOG S: -2.68
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 3