4-[1-(carbamoylmethyl)-1H-imidazol-2-yl]-N-cyclohexylpiperidine-1-carboxamide

• ChemBase ID: 857749
• Molecular Formular: C17H27N5O2
• Molecular Mass: 333.42858
• Monoisotopic Mass: 333.21647513
• SMILES: n1(c(ncc1)C1CCN(C(=O)NC2CCCCC2)CC1)CC(=O)N
• Canonical SMILES: NC(=O)Cn1ccnc1C1CCN(CC1)C(=O)NC1CCCCC1
• InChI: InChI=1S/C17H27N5O2/c18-15(23)12-22-11-8-19-16(22)13-6-9-21(10-7-13)17(24)20-14-4-2-1-3-5-14/h8,11,13-14H,1-7,9-10,12H2,(H2,18,23)(H,20,24)
• InChIKey: RIWPLNKBZBALPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[1-(carbamoylmethyl)-1H-imidazol-2-yl]-N-cyclohexylpiperidine-1-carboxamide
• IUPAC Traditional name: 4-[1-(carbamoylmethyl)imidazol-2-yl]-N-cyclohexylpiperidine-1-carboxamide
• Synonyms: 4-[1-(2-amino-2-oxoethyl)-1H-imidazol-2-yl]-N-cyclohexylpiperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.948389
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.36811632
• LogD (pH = 7.4): 0.24935877
• Log P: 0.2754785
• Molar Refractivity: 90.8421 cm^3
• Polarizability: 35.04795 Å^3
• Polar Surface Area: 93.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.69
• LOG S: -2.22
• Polar Surface Area: 93.25 Å^2
• Rotatable Bonds: 4