2-(1-ethylpiperidin-4-yl)-N-[2-methyl-1-(1-methyl-1H-imidazol-2-yl)propyl]acetamide

• ChemBase ID: 755280
• Molecular Formular: C17H30N4O
• Molecular Mass: 306.4463
• Monoisotopic Mass: 306.2419616
• SMILES: c1(n(ccn1)C)C(NC(=O)CC1CCN(CC1)CC)C(C)C
• Canonical SMILES: CCN1CCC(CC1)CC(=O)NC(c1nccn1C)C(C)C
• InChI: InChI=1S/C17H30N4O/c1-5-21-9-6-14(7-10-21)12-15(22)19-16(13(2)3)17-18-8-11-20(17)4/h8,11,13-14,16H,5-7,9-10,12H2,1-4H3,(H,19,22)
• InChIKey: IXZVBMHKZCDKPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.468193
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1467273
• LogD (pH = 7.4): -0.08450828
• Log P: 1.5845281
• Molar Refractivity: 89.6932 cm^3
• Polarizability: 34.846245 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: 1.37
• LOG S: -2.6
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 6