4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-[(2R)-oxolane-2-carbonyl]piperidine

• ChemBase ID: 497442
• Molecular Formular: C16H25N3O3
• Molecular Mass: 307.388
• Monoisotopic Mass: 307.18959168
• SMILES: c1(n(ccn1)CCOC)C1CCN(C(=O)[C@@H]2OCCC2)CC1
• Canonical SMILES: COCCn1ccnc1C1CCN(CC1)C(=O)[C@H]1CCCO1
• InChI: InChI=1S/C16H25N3O3/c1-21-12-10-18-9-6-17-15(18)13-4-7-19(8-5-13)16(20)14-3-2-11-22-14/h6,9,13-14H,2-5,7-8,10-12H2,1H3/t14-/m1/s1
• InChIKey: OCBLDBWFCJBUOP-CQSZACIVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-[(2R)-oxolane-2-carbonyl]piperidine
• IUPAC Traditional name: 4-[1-(2-methoxyethyl)imidazol-2-yl]-1-[(2R)-oxolane-2-carbonyl]piperidine
• Synonyms: 4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-[(2R)-tetrahydro-2-furanylcarbonyl]piperidine

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.953098
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.36072084
• LogD (pH = 7.4): 0.28219405
• Log P: 0.31169346
• Molar Refractivity: 83.1309 cm^3
• Polarizability: 32.16878 Å^3
• Polar Surface Area: 56.59 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.44
• LOG S: -2.38
• Polar Surface Area: 56.59 Å^2
• Rotatable Bonds: 5