4-methoxy-N-methyl-N-(oxan-2-ylmethyl)-3-{[1-(propan-2-yl)piperidin-4-yl]oxy}benzamide

• ChemBase ID: 436943
• Molecular Formular: C23H36N2O4
• Molecular Mass: 404.54294
• Monoisotopic Mass: 404.26750764
• SMILES: C(=O)(N(CC1OCCCC1)C)c1cc(OC2CCN(CC2)C(C)C)c(cc1)OC
• Canonical SMILES: COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)N(CC1CCCCO1)C
• InChI: InChI=1S/C23H36N2O4/c1-17(2)25-12-10-19(11-13-25)29-22-15-18(8-9-21(22)27-4)23(26)24(3)16-20-7-5-6-14-28-20/h8-9,15,17,19-20H,5-7,10-14,16H2,1-4H3
• InChIKey: FRQBEIIIKFSJOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-N-methyl-N-(oxan-2-ylmethyl)-3-{[1-(propan-2-yl)piperidin-4-yl]oxy}benzamide
• IUPAC Traditional name: 3-[(1-isopropylpiperidin-4-yl)oxy]-4-methoxy-N-methyl-N-(oxan-2-ylmethyl)benzamide
• Synonyms: 3-[(1-isopropyl-4-piperidinyl)oxy]-4-methoxy-N-methyl-N-(tetrahydro-2H-pyran-2-ylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.5561502
• LogD (pH = 7.4): 1.0595791
• Log P: 2.6192424
• Molar Refractivity: 115.3304 cm^3
• Polarizability: 44.740883 Å^3
• Polar Surface Area: 51.24 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.53
• LOG S: -2.95
• Polar Surface Area: 51.24 Å^2
• Rotatable Bonds: 5