N-cyclohexyl-3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine-1-carboxamide

• ChemBase ID: 693476
• Molecular Formular: C18H30N4O2
• Molecular Mass: 334.4564
• Monoisotopic Mass: 334.23687622
• SMILES: c1(C2CN(C(=O)NC3CCCCC3)CCC2)n(ccn1)CCOC
• Canonical SMILES: COCCn1ccnc1C1CCCN(C1)C(=O)NC1CCCCC1
• InChI: InChI=1S/C18H30N4O2/c1-24-13-12-21-11-9-19-17(21)15-6-5-10-22(14-15)18(23)20-16-7-3-2-4-8-16/h9,11,15-16H,2-8,10,12-14H2,1H3,(H,20,23)
• InChIKey: RPLJJVRSANESHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine-1-carboxamide
• IUPAC Traditional name: N-cyclohexyl-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carboxamide
• Synonyms: N-cyclohexyl-3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.128807
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0547737
• LogD (pH = 7.4): 1.6855499
• Log P: 1.7133697
• Molar Refractivity: 93.8248 cm^3
• Polarizability: 36.273502 Å^3
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.06
• LOG S: -3.4
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 5