N-(1-methylpiperidin-4-yl)-2-(morpholin-2-yl)-N-(2-phenylethyl)acetamide

• ChemBase ID: 831221
• Molecular Formular: C20H31N3O2
• Molecular Mass: 345.47904
• Monoisotopic Mass: 345.24162725
• SMILES: C(=O)(N(CCc1ccccc1)C1CCN(CC1)C)CC1OCCNC1
• Canonical SMILES: CN1CCC(CC1)N(C(=O)CC1CNCCO1)CCc1ccccc1
• InChI: InChI=1S/C20H31N3O2/c1-22-11-8-18(9-12-22)23(13-7-17-5-3-2-4-6-17)20(24)15-19-16-21-10-14-25-19/h2-6,18-19,21H,7-16H2,1H3
• InChIKey: SRJFVARRQCEGPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-methylpiperidin-4-yl)-2-(morpholin-2-yl)-N-(2-phenylethyl)acetamide
• IUPAC Traditional name: N-(1-methylpiperidin-4-yl)-2-(morpholin-2-yl)-N-(2-phenylethyl)acetamide
• Synonyms: N-(1-methyl-4-piperidinyl)-2-(2-morpholinyl)-N-(2-phenylethyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -4.568277
• LogD (pH = 7.4): -1.1224422
• Log P: 1.0437342
• Molar Refractivity: 100.6564 cm^3
• Polarizability: 39.60874 Å^3
• Polar Surface Area: 44.81 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.94
• LOG S: -2.52
• Polar Surface Area: 44.81 Å^2
• Rotatable Bonds: 6