![1'-(2-((2-Benzoyl-4-chlorophenyl)amino)-2-oxoethyl)-[1,4'-bipiperidine]-4'-carboxamide](/api/spectrum/Il69pc9zwOk/structure.png?h=300&w=458 "1'-(2-((2-Benzoyl-4-chlorophenyl)amino)-2-oxoethyl)-[1,4'-bipiperidine]-4'-carboxamide")
| SpectraBase Compound ID | JS2bH2fFk3F |
|---|---|
| InChI | InChI=1S/C26H31ClN4O3/c27-20-9-10-22(21(17-20)24(33)19-7-3-1-4-8-19)29-23(32)18-30-15-11-26(12-16-30,25(28)34)31-13-5-2-6-14-31/h1,3-4,7-10,17H,2,5-6,11-16,18H2,(H2,28,34)(H,29,32) |
| InChIKey | GWUXFTBJUPTJCO-UHFFFAOYSA-N |
| Mol Weight | 483.01 g/mol |
| Molecular Formula | C26H31ClN4O3 |
| Exact Mass | 482.208469 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Il69pc9zwOk |
|---|---|
| Name | 1'-(2-((2-Benzoyl-4-chlorophenyl)amino)-2-oxoethyl)-[1,4'-bipiperidine]-4'-carboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 482.208468571 u |
| Formula | C26H31ClN4O3 |
| InChI | InChI=1S/C26H31ClN4O3/c27-20-9-10-22(21(17-20)24(33)19-7-3-1-4-8-19)29-23(32)18-30-15-11-26(12-16-30,25(28)34)31-13-5-2-6-14-31/h1,3-4,7-10,17H,2,5-6,11-16,18H2,(H2,28,34)(H,29,32) |
| InChIKey | GWUXFTBJUPTJCO-UHFFFAOYSA-N |
| Molecular Weight | 483.012 g/mol |
| SMILES | NC(C1(CCN(CC(NC2=C(C(=O)C=3C=CC=CC3)C=C(C=C2)Cl)=O)CC1)N1CCCCC1)=O |