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

• ChemBase ID: 343579
• Molecular Formular: C24H37N3O4
• Molecular Mass: 431.56828
• Monoisotopic Mass: 431.27840668
• SMILES: N1(C(C(=O)N(CC2CCN(Cc3c(OC)cccc3)CC2)CCOC)C)C(=O)CCC1
• Canonical SMILES: COCCN(C(=O)C(N1CCCC1=O)C)CC1CCN(CC1)Cc1ccccc1OC
• InChI: InChI=1S/C24H37N3O4/c1-19(27-12-6-9-23(27)28)24(29)26(15-16-30-2)17-20-10-13-25(14-11-20)18-21-7-4-5-8-22(21)31-3/h4-5,7-8,19-20H,6,9-18H2,1-3H3
• InChIKey: TVYLCPMGGHEKGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.4552473
• LogD (pH = 7.4): 0.3095037
• Log P: 1.3384571
• Molar Refractivity: 121.7371 cm^3
• Polarizability: 47.33291 Å^3
• Polar Surface Area: 62.32 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.63
• LOG S: -0.67
• Polar Surface Area: 62.32 Å^2
• Rotatable Bonds: 8