4-{[1-(3-methoxypropanoyl)piperidin-4-yl]oxy}-N-methyl-N-[2-(oxan-2-yl)ethyl]benzamide

• ChemBase ID: 404282
• Molecular Formular: C24H36N2O5
• Molecular Mass: 432.55304
• Monoisotopic Mass: 432.26242226
• SMILES: N1(C(=O)CCOC)CCC(CC1)Oc1ccc(C(=O)N(CCC2OCCCC2)C)cc1
• Canonical SMILES: COCCC(=O)N1CCC(CC1)Oc1ccc(cc1)C(=O)N(CCC1CCCCO1)C
• InChI: InChI=1S/C24H36N2O5/c1-25(14-10-20-5-3-4-17-30-20)24(28)19-6-8-21(9-7-19)31-22-11-15-26(16-12-22)23(27)13-18-29-2/h6-9,20,22H,3-5,10-18H2,1-2H3
• InChIKey: MSPJEMSXVFBPOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.3532758
• LogD (pH = 7.4): 1.353276
• Log P: 1.353276
• Molar Refractivity: 119.9892 cm^3
• Polarizability: 46.298656 Å^3
• Polar Surface Area: 68.31 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.48
• LOG S: -3.47
• Polar Surface Area: 68.31 Å^2
• Rotatable Bonds: 8