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

• ChemBase ID: 695825
• Molecular Formular: C22H34FN3O2
• Molecular Mass: 391.5226632
• Monoisotopic Mass: 391.26350556
• SMILES: C(=O)(CCN1CCOCC1)N(CC1CCN(CCc2c(F)cccc2)CC1)C
• Canonical SMILES: O=C(N(CC1CCN(CC1)CCc1ccccc1F)C)CCN1CCOCC1
• InChI: InChI=1S/C22H34FN3O2/c1-24(22(27)9-13-26-14-16-28-17-15-26)18-19-6-10-25(11-7-19)12-8-20-4-2-3-5-21(20)23/h2-5,19H,6-18H2,1H3
• InChIKey: ABSXCKLBJKDHMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.677431
• LogD (pH = 7.4): 0.5743628
• Log P: 1.9703177
• Molar Refractivity: 111.3153 cm^3
• Polarizability: 42.86794 Å^3
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.66
• LOG S: -1.14
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 8