3-[(1-acetylpiperidin-4-yl)oxy]-4-methoxy-N-methyl-N-(2-phenoxyethyl)benzamide

• ChemBase ID: 711742
• Molecular Formular: C24H30N2O5
• Molecular Mass: 426.5054
• Monoisotopic Mass: 426.21547207
• SMILES: C(=O)(c1cc(OC2CCN(C(=O)C)CC2)c(cc1)OC)N(CCOc1ccccc1)C
• Canonical SMILES: COc1ccc(cc1OC1CCN(CC1)C(=O)C)C(=O)N(CCOc1ccccc1)C
• InChI: InChI=1S/C24H30N2O5/c1-18(27)26-13-11-21(12-14-26)31-23-17-19(9-10-22(23)29-3)24(28)25(2)15-16-30-20-7-5-4-6-8-20/h4-10,17,21H,11-16H2,1-3H3
• InChIKey: AGZIXSJVOROIRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(1-acetylpiperidin-4-yl)oxy]-4-methoxy-N-methyl-N-(2-phenoxyethyl)benzamide
• IUPAC Traditional name: 3-[(1-acetylpiperidin-4-yl)oxy]-4-methoxy-N-methyl-N-(2-phenoxyethyl)benzamide
• Synonyms: 3-[(1-acetyl-4-piperidinyl)oxy]-4-methoxy-N-methyl-N-(2-phenoxyethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.8536456
• LogD (pH = 7.4): 1.8536458
• Log P: 1.8536458
• Molar Refractivity: 118.1307 cm^3
• Polarizability: 45.53399 Å^3
• Polar Surface Area: 68.31 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.42
• LOG S: -2.82
• Polar Surface Area: 68.31 Å^2
• Rotatable Bonds: 7