N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-N-(2-methoxyethyl)-2-(2-oxopyrrolidin-1-yl)propanamide

• ChemBase ID: 496281
• Molecular Formular: C23H34FN3O3
• Molecular Mass: 419.5327632
• Monoisotopic Mass: 419.25842018
• SMILES: N1(C(C(=O)N(CC2CCN(Cc3c(F)cccc3)CC2)CCOC)C)C(=O)CCC1
• Canonical SMILES: COCCN(C(=O)C(N1CCCC1=O)C)CC1CCN(CC1)Cc1ccccc1F
• InChI: InChI=1S/C23H34FN3O3/c1-18(27-11-5-8-22(27)28)23(29)26(14-15-30-2)16-19-9-12-25(13-10-19)17-20-6-3-4-7-21(20)24/h3-4,6-7,18-19H,5,8-17H2,1-2H3
• InChIKey: MIDMFLBHZCIDGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-N-(2-methoxyethyl)-2-(2-oxopyrrolidin-1-yl)propanamide
• IUPAC Traditional name: N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-N-(2-methoxyethyl)-2-(2-oxopyrrolidin-1-yl)propanamide
• Synonyms: N-{[1-(2-fluorobenzyl)-4-piperidinyl]methyl}-N-(2-methoxyethyl)-2-(2-oxo-1-pyrrolidinyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.8509255
• LogD (pH = 7.4): 0.91565907
• Log P: 1.6388303
• Molar Refractivity: 115.4903 cm^3
• Polarizability: 44.48597 Å^3
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.85
• LOG S: -0.96
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 8