N-[2-(4-chlorophenyl)ethyl]-2-[4-(1-methyl-1H-imidazol-2-yl)piperidin-1-yl]acetamide

• ChemBase ID: 369534
• Molecular Formular: C19H25ClN4O
• Molecular Mass: 360.881
• Monoisotopic Mass: 360.17168912
• SMILES: c1(n(ccn1)C)C1CCN(CC(=O)NCCc2ccc(Cl)cc2)CC1
• Canonical SMILES: O=C(CN1CCC(CC1)c1nccn1C)NCCc1ccc(cc1)Cl
• InChI: InChI=1S/C19H25ClN4O/c1-23-13-10-22-19(23)16-7-11-24(12-8-16)14-18(25)21-9-6-15-2-4-17(20)5-3-15/h2-5,10,13,16H,6-9,11-12,14H2,1H3,(H,21,25)
• InChIKey: JMPKYJKKEDQNKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-chlorophenyl)ethyl]-2-[4-(1-methyl-1H-imidazol-2-yl)piperidin-1-yl]acetamide
• IUPAC Traditional name: N-[2-(4-chlorophenyl)ethyl]-2-[4-(1-methylimidazol-2-yl)piperidin-1-yl]acetamide
• Synonyms: N-[2-(4-chlorophenyl)ethyl]-2-[4-(1-methyl-1H-imidazol-2-yl)-1-piperidinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.880678
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.5031599
• LogD (pH = 7.4): 1.8021787
• Log P: 2.2000382
• Molar Refractivity: 101.0524 cm^3
• Polarizability: 38.862854 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.62
• LOG S: -4.07
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 6