4-[1-(propan-2-yl)-1H-imidazol-2-yl]-1-(pyrrolidine-1-carbonyl)piperidine

• ChemBase ID: 597562
• Molecular Formular: C16H26N4O
• Molecular Mass: 290.40384
• Monoisotopic Mass: 290.21066147
• SMILES: c1(n(ccn1)C(C)C)C1CCN(C(=O)N2CCCC2)CC1
• Canonical SMILES: O=C(N1CCCC1)N1CCC(CC1)c1nccn1C(C)C
• InChI: InChI=1S/C16H26N4O/c1-13(2)20-12-7-17-15(20)14-5-10-19(11-6-14)16(21)18-8-3-4-9-18/h7,12-14H,3-6,8-11H2,1-2H3
• InChIKey: KIAMMPFZLHUXKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[1-(propan-2-yl)-1H-imidazol-2-yl]-1-(pyrrolidine-1-carbonyl)piperidine
• IUPAC Traditional name: 4-(1-isopropylimidazol-2-yl)-1-(pyrrolidine-1-carbonyl)piperidine
• Synonyms: 4-(1-isopropyl-1H-imidazol-2-yl)-1-(1-pyrrolidinylcarbonyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.5390918
• LogD (pH = 7.4): 1.1789585
• Log P: 1.2080238
• Molar Refractivity: 83.5262 cm^3
• Polarizability: 31.890123 Å^3
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 1.65
• LOG S: -2.73
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 2