N-(1,4-dioxan-2-ylmethyl)-3-methoxy-N-methyl-4-[(1-methylpiperidin-4-yl)oxy]benzamide

• ChemBase ID: 406992
• Molecular Formular: C20H30N2O5
• Molecular Mass: 378.4626
• Monoisotopic Mass: 378.21547207
• SMILES: C(=O)(N(CC1OCCOC1)C)c1cc(c(OC2CCN(CC2)C)cc1)OC
• Canonical SMILES: COc1cc(ccc1OC1CCN(CC1)C)C(=O)N(CC1COCCO1)C
• InChI: InChI=1S/C20H30N2O5/c1-21-8-6-16(7-9-21)27-18-5-4-15(12-19(18)24-3)20(23)22(2)13-17-14-25-10-11-26-17/h4-5,12,16-17H,6-11,13-14H2,1-3H3
• InChIKey: KFLBRQJNEZYYPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1,4-dioxan-2-ylmethyl)-3-methoxy-N-methyl-4-[(1-methylpiperidin-4-yl)oxy]benzamide
• IUPAC Traditional name: N-(1,4-dioxan-2-ylmethyl)-3-methoxy-N-methyl-4-[(1-methylpiperidin-4-yl)oxy]benzamide
• Synonyms: N-(1,4-dioxan-2-ylmethyl)-3-methoxy-N-methyl-4-[(1-methyl-4-piperidinyl)oxy]benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -2.0527534
• LogD (pH = 7.4): -0.29313704
• Log P: 0.776993
• Molar Refractivity: 103.0955 cm^3
• Polarizability: 39.935516 Å^3
• Polar Surface Area: 60.47 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.35
• LOG S: -0.92
• Polar Surface Area: 60.47 Å^2
• Rotatable Bonds: 5