N-(2-hydroxyethyl)-N-[(1-methyl-1H-imidazol-2-yl)methyl]-2-[1-(propan-2-yl)piperidin-4-yl]acetamide

• ChemBase ID: 864047
• Molecular Formular: C17H30N4O2
• Molecular Mass: 322.4457
• Monoisotopic Mass: 322.23687622
• SMILES: c1(n(ccn1)C)CN(C(=O)CC1CCN(CC1)C(C)C)CCO
• Canonical SMILES: OCCN(C(=O)CC1CCN(CC1)C(C)C)Cc1nccn1C
• InChI: InChI=1S/C17H30N4O2/c1-14(2)20-7-4-15(5-8-20)12-17(23)21(10-11-22)13-16-18-6-9-19(16)3/h6,9,14-15,22H,4-5,7-8,10-13H2,1-3H3
• InChIKey: SGOUGAVEEJGOBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-hydroxyethyl)-N-[(1-methyl-1H-imidazol-2-yl)methyl]-2-[1-(propan-2-yl)piperidin-4-yl]acetamide
• IUPAC Traditional name: N-(2-hydroxyethyl)-2-(1-isopropylpiperidin-4-yl)-N-[(1-methylimidazol-2-yl)methyl]acetamide
• Synonyms: N-(2-hydroxyethyl)-2-(1-isopropyl-4-piperidinyl)-N-[(1-methyl-1H-imidazol-2-yl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.573402
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.8049834
• LogD (pH = 7.4): -1.8638288
• Log P: 0.07841769
• Molar Refractivity: 91.8115 cm^3
• Polarizability: 35.471745 Å^3
• Polar Surface Area: 61.6 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.78
• LOG S: -2.22
• Polar Surface Area: 61.6 Å^2
• Rotatable Bonds: 7