1-(4-acetyl-4-phenylpiperidin-1-yl)-2-(morpholin-2-yl)ethan-1-one

• ChemBase ID: 775402
• Molecular Formular: C19H26N2O3
• Molecular Mass: 330.42134
• Monoisotopic Mass: 330.1943427
• SMILES: C(=O)(N1CCC(CC1)(C(=O)C)c1ccccc1)CC1OCCNC1
• Canonical SMILES: O=C(N1CCC(CC1)(C(=O)C)c1ccccc1)CC1OCCNC1
• InChI: InChI=1S/C19H26N2O3/c1-15(22)19(16-5-3-2-4-6-16)7-10-21(11-8-19)18(23)13-17-14-20-9-12-24-17/h2-6,17,20H,7-14H2,1H3
• InChIKey: GPWZULZFUOHTSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-acetyl-4-phenylpiperidin-1-yl)-2-(morpholin-2-yl)ethan-1-one
• IUPAC Traditional name: 1-(4-acetyl-4-phenylpiperidin-1-yl)-2-(morpholin-2-yl)ethanone
• Synonyms: 1-[1-(2-morpholinylacetyl)-4-phenyl-4-piperidinyl]ethanone

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.935667
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.6014165
• LogD (pH = 7.4): 0.10867833
• Log P: 1.0963482
• Molar Refractivity: 92.3667 cm^3
• Polarizability: 36.308933 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.55
• LOG S: -2.08
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 4