3-(morpholin-4-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide

• ChemBase ID: 518939
• Molecular Formular: C24H31N3O2
• Molecular Mass: 393.52184
• Monoisotopic Mass: 393.24162725
• SMILES: C(=O)(NC1CN(CCc2ccccc2)CCC1)c1cc(N2CCOCC2)ccc1
• Canonical SMILES: O=C(c1cccc(c1)N1CCOCC1)NC1CCCN(C1)CCc1ccccc1
• InChI: InChI=1S/C24H31N3O2/c28-24(21-8-4-10-23(18-21)27-14-16-29-17-15-27)25-22-9-5-12-26(19-22)13-11-20-6-2-1-3-7-20/h1-4,6-8,10,18,22H,5,9,11-17,19H2,(H,25,28)
• InChIKey: VZQQSBZGXQJHJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(morpholin-4-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide
• IUPAC Traditional name: 3-(morpholin-4-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide
• Synonyms: 3-(4-morpholinyl)-N-[1-(2-phenylethyl)-3-piperidinyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.172276
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.6598783
• LogD (pH = 7.4): 2.4268658
• Log P: 3.434449
• Molar Refractivity: 118.1341 cm^3
• Polarizability: 44.84002 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: 3
• H Donor: 1
• Log P: 3.82
• LOG S: -4.66
• Polar Surface Area: 44.81 Å^2
• Rotatable Bonds: 6