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

• ChemBase ID: 842408
• Molecular Formular: C22H34N2O5
• Molecular Mass: 406.51576
• Monoisotopic Mass: 406.2467722
• SMILES: C(=O)(N(CC1OCCOC1)C)c1cc(OC2CCN(CC2)C(C)C)c(cc1)OC
• Canonical SMILES: COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)N(CC1COCCO1)C
• InChI: InChI=1S/C22H34N2O5/c1-16(2)24-9-7-18(8-10-24)29-21-13-17(5-6-20(21)26-4)22(25)23(3)14-19-15-27-11-12-28-19/h5-6,13,16,18-19H,7-12,14-15H2,1-4H3
• InChIKey: UYWQVHIWVRRIMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -1.625015
• LogD (pH = 7.4): -0.009284265
• Log P: 1.5503759
• Molar Refractivity: 112.2629 cm^3
• Polarizability: 43.608112 Å^3
• Polar Surface Area: 60.47 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.18
• LOG S: -1.5
• Polar Surface Area: 60.47 Å^2
• Rotatable Bonds: 5