N-[(1-methylpiperidin-4-yl)methyl]-2-(morpholin-4-yl)-N-(2-phenylethyl)-2-(pyridin-3-yl)acetamide

• ChemBase ID: 379789
• Molecular Formular: C26H36N4O2
• Molecular Mass: 436.58964
• Monoisotopic Mass: 436.28382641
• SMILES: C(=O)(N(CC1CCN(CC1)C)CCc1ccccc1)C(N1CCOCC1)c1cnccc1
• Canonical SMILES: CN1CCC(CC1)CN(C(=O)C(c1cccnc1)N1CCOCC1)CCc1ccccc1
• InChI: InChI=1S/C26H36N4O2/c1-28-13-9-23(10-14-28)21-30(15-11-22-6-3-2-4-7-22)26(31)25(24-8-5-12-27-20-24)29-16-18-32-19-17-29/h2-8,12,20,23,25H,9-11,13-19,21H2,1H3
• InChIKey: UAWZSYPENMQHLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-methylpiperidin-4-yl)methyl]-2-(morpholin-4-yl)-N-(2-phenylethyl)-2-(pyridin-3-yl)acetamide
• IUPAC Traditional name: N-[(1-methylpiperidin-4-yl)methyl]-2-(morpholin-4-yl)-N-(2-phenylethyl)-2-(pyridin-3-yl)acetamide
• Synonyms: N-[(1-methyl-4-piperidinyl)methyl]-2-(4-morpholinyl)-N-(2-phenylethyl)-2-(3-pyridinyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.0234516
• LogD (pH = 7.4): 0.7447385
• Log P: 2.30936
• Molar Refractivity: 128.6005 cm^3
• Polarizability: 50.14779 Å^3
• Polar Surface Area: 48.91 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.71
• LOG S: -0.3
• Polar Surface Area: 48.91 Å^2
• Rotatable Bonds: 8