1-(4-chlorobenzoyl)-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]piperidine-4-carboxamide

• ChemBase ID: 690718
• Molecular Formular: C19H23ClN4O2
• Molecular Mass: 374.86452
• Monoisotopic Mass: 374.15095368
• SMILES: C(=O)(N1CCC(C(=O)NCCn2c(ncc2)C)CC1)c1ccc(cc1)Cl
• Canonical SMILES: O=C(C1CCN(CC1)C(=O)c1ccc(cc1)Cl)NCCn1ccnc1C
• InChI: InChI=1S/C19H23ClN4O2/c1-14-21-8-12-23(14)13-9-22-18(25)15-6-10-24(11-7-15)19(26)16-2-4-17(20)5-3-16/h2-5,8,12,15H,6-7,9-11,13H2,1H3,(H,22,25)
• InChIKey: TYFZJJAGBZNWTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-chlorobenzoyl)-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]piperidine-4-carboxamide
• IUPAC Traditional name: 1-(4-chlorobenzoyl)-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxamide
• Synonyms: 1-(4-chlorobenzoyl)-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-4-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.031764
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.38342017
• LogD (pH = 7.4): 1.1537459
• Log P: 1.3951187
• Molar Refractivity: 101.2166 cm^3
• Polarizability: 38.447926 Å^3
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.62
• LOG S: -4.84
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 5