N-(1-methoxypropan-2-yl)-1-(2,3,5,6-tetramethylbenzoyl)piperidine-4-carboxamide

• ChemBase ID: 624974
• Molecular Formular: C21H32N2O3
• Molecular Mass: 360.49038
• Monoisotopic Mass: 360.24129289
• SMILES: c1(C(=O)N2CCC(C(=O)NC(COC)C)CC2)c(c(cc(c1C)C)C)C
• Canonical SMILES: COCC(NC(=O)C1CCN(CC1)C(=O)c1c(C)c(C)cc(c1C)C)C
• InChI: InChI=1S/C21H32N2O3/c1-13-11-14(2)17(5)19(16(13)4)21(25)23-9-7-18(8-10-23)20(24)22-15(3)12-26-6/h11,15,18H,7-10,12H2,1-6H3,(H,22,24)
• InChIKey: NPSOFLRCFLIZFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-methoxypropan-2-yl)-1-(2,3,5,6-tetramethylbenzoyl)piperidine-4-carboxamide
• IUPAC Traditional name: N-(1-methoxypropan-2-yl)-1-(2,3,5,6-tetramethylbenzoyl)piperidine-4-carboxamide
• Synonyms: N-(2-methoxy-1-methylethyl)-1-(2,3,5,6-tetramethylbenzoyl)piperidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.400824
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.184367
• LogD (pH = 7.4): 3.1843674
• Log P: 3.1843674
• Molar Refractivity: 105.6577 cm^3
• Polarizability: 39.80731 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.9
• LOG S: -3.45
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 5