N-({1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl}methyl)-N-methyl-3-(morpholin-4-yl)propanamide

• ChemBase ID: 603294
• Molecular Formular: C23H37N3O3
• Molecular Mass: 403.55818
• Monoisotopic Mass: 403.28349206
• SMILES: C(=O)(CCN1CCOCC1)N(CC1CN(CCc2ccc(cc2)OC)CCC1)C
• Canonical SMILES: COc1ccc(cc1)CCN1CCCC(C1)CN(C(=O)CCN1CCOCC1)C
• InChI: InChI=1S/C23H37N3O3/c1-24(23(27)10-13-25-14-16-29-17-15-25)18-21-4-3-11-26(19-21)12-9-20-5-7-22(28-2)8-6-20/h5-8,21H,3-4,9-19H2,1-2H3
• InChIKey: CPIZSCGLBYMWTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl}methyl)-N-methyl-3-(morpholin-4-yl)propanamide
• IUPAC Traditional name: N-({1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl}methyl)-N-methyl-3-(morpholin-4-yl)propanamide
• Synonyms: N-({1-[2-(4-methoxyphenyl)ethyl]-3-piperidinyl}methyl)-N-methyl-3-(4-morpholinyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -3.2877522
• LogD (pH = 7.4): -0.25456533
• Log P: 1.7115012
• Molar Refractivity: 117.4633 cm^3
• Polarizability: 45.72916 Å^3
• Polar Surface Area: 45.25 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.41
• LOG S: -0.66
• Polar Surface Area: 45.25 Å^2
• Rotatable Bonds: 8