4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-(oxolane-3-carbonyl)piperidine

• ChemBase ID: 328036
• Molecular Formular: C17H25N3O2
• Molecular Mass: 303.3993
• Monoisotopic Mass: 303.19467706
• SMILES: n1(c(ncc1)C1CCN(C(=O)C2COCC2)CC1)CC1CC1
• Canonical SMILES: O=C(N1CCC(CC1)c1nccn1CC1CC1)C1COCC1
• InChI: InChI=1S/C17H25N3O2/c21-17(15-5-10-22-12-15)19-7-3-14(4-8-19)16-18-6-9-20(16)11-13-1-2-13/h6,9,13-15H,1-5,7-8,10-12H2
• InChIKey: NRVXDRMXHFJNIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-(oxolane-3-carbonyl)piperidine
• IUPAC Traditional name: 4-[1-(cyclopropylmethyl)imidazol-2-yl]-1-(oxolane-3-carbonyl)piperidine
• Synonyms: 4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-(tetrahydrofuran-3-ylcarbonyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.14760637
• LogD (pH = 7.4): 0.7974411
• Log P: 0.82795864
• Molar Refractivity: 84.2854 cm^3
• Polarizability: 32.56835 Å^3
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.54
• LOG S: -1.87
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 4