1-(1-cyclohexylpiperidine-4-carbonyl)-4-(1-ethyl-1H-imidazol-2-yl)piperidine

• ChemBase ID: 691835
• Molecular Formular: C22H36N4O
• Molecular Mass: 372.54744
• Monoisotopic Mass: 372.28891179
• SMILES: c1(n(ccn1)CC)C1CCN(C(=O)C2CCN(CC2)C2CCCCC2)CC1
• Canonical SMILES: CCn1ccnc1C1CCN(CC1)C(=O)C1CCN(CC1)C1CCCCC1
• InChI: InChI=1S/C22H36N4O/c1-2-24-17-12-23-21(24)18-8-15-26(16-9-18)22(27)19-10-13-25(14-11-19)20-6-4-3-5-7-20/h12,17-20H,2-11,13-16H2,1H3
• InChIKey: DQYJBVGLKNTFQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-cyclohexylpiperidine-4-carbonyl)-4-(1-ethyl-1H-imidazol-2-yl)piperidine
• IUPAC Traditional name: 1-(1-cyclohexylpiperidine-4-carbonyl)-4-(1-ethylimidazol-2-yl)piperidine
• Synonyms: 1-cyclohexyl-4-{[4-(1-ethyl-1H-imidazol-2-yl)piperidin-1-yl]carbonyl}piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.5839505
• LogD (pH = 7.4): -0.016023096
• Log P: 2.5577412
• Molar Refractivity: 109.8368 cm^3
• Polarizability: 42.599365 Å^3
• Polar Surface Area: 41.37 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: 3.06
• LOG S: -4.53
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 4