N-methyl-N-(1-methylpiperidin-4-yl)-3-[1-(3-phenoxypropanoyl)piperidin-3-yl]propanamide

• ChemBase ID: 818603
• Molecular Formular: C24H37N3O3
• Molecular Mass: 415.56888
• Monoisotopic Mass: 415.28349206
• SMILES: N1(C(=O)CCOc2ccccc2)CC(CCC(=O)N(C2CCN(CC2)C)C)CCC1
• Canonical SMILES: CN1CCC(CC1)N(C(=O)CCC1CCCN(C1)C(=O)CCOc1ccccc1)C
• InChI: InChI=1S/C24H37N3O3/c1-25-16-12-21(13-17-25)26(2)23(28)11-10-20-7-6-15-27(19-20)24(29)14-18-30-22-8-4-3-5-9-22/h3-5,8-9,20-21H,6-7,10-19H2,1-2H3
• InChIKey: RXMDRLOBUCRCDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-(1-methylpiperidin-4-yl)-3-[1-(3-phenoxypropanoyl)piperidin-3-yl]propanamide
• IUPAC Traditional name: N-methyl-N-(1-methylpiperidin-4-yl)-3-[1-(3-phenoxypropanoyl)piperidin-3-yl]propanamide
• Synonyms: N-methyl-N-(1-methyl-4-piperidinyl)-3-[1-(3-phenoxypropanoyl)-3-piperidinyl]propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.2985009
• LogD (pH = 7.4): 0.44205776
• Log P: 1.6224303
• Molar Refractivity: 119.4685 cm^3
• Polarizability: 46.63948 Å^3
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.52
• LOG S: -2.42
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 8