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

• ChemBase ID: 363180
• Molecular Formular: C19H28N4O3
• Molecular Mass: 360.45062
• Monoisotopic Mass: 360.21614078
• SMILES: C(=O)(N1CCC(c2ncc[nH]2)CC1)C1CCN(C(=O)C2OCCC2)CC1
• Canonical SMILES: O=C(N1CCC(CC1)c1ncc[nH]1)C1CCN(CC1)C(=O)C1CCCO1
• InChI: InChI=1S/C19H28N4O3/c24-18(22-9-3-14(4-10-22)17-20-7-8-21-17)15-5-11-23(12-6-15)19(25)16-2-1-13-26-16/h7-8,14-16H,1-6,9-13H2,(H,20,21)
• InChIKey: TWPILSAZRDBJFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.896138
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.9197434
• LogD (pH = 7.4): -0.19673382
• Log P: -0.15148693
• Molar Refractivity: 97.1882 cm^3
• Polarizability: 37.56993 Å^3
• Polar Surface Area: 78.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.69
• LOG S: -2.55
• Polar Surface Area: 78.53 Å^2
• Rotatable Bonds: 3