![1-Benzyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2-carboxamide](/api/spectrum/CnjQre40K2I/structure.png?h=300&w=458 "1-Benzyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2-carboxamide")
| SpectraBase Compound ID | 2yWDEtgLIgf |
|---|---|
| InChI | InChI=1S/C26H36N4O2/c1-32-24-12-10-23(11-13-24)29-19-17-28(18-20-29)15-6-14-27-26(31)25-9-5-16-30(25)21-22-7-3-2-4-8-22/h2-4,7-8,10-13,25H,5-6,9,14-21H2,1H3,(H,27,31) |
| InChIKey | PNKNAFPTTJLTEB-UHFFFAOYSA-N |
| Mol Weight | 436.6 g/mol |
| Molecular Formula | C26H36N4O2 |
| Exact Mass | 436.283826 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CnjQre40K2I |
|---|---|
| Name | 1-Benzyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2-carboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 436.283826413 u |
| Formula | C26H36N4O2 |
| InChI | InChI=1S/C26H36N4O2/c1-32-24-12-10-23(11-13-24)29-19-17-28(18-20-29)15-6-14-27-26(31)25-9-5-16-30(25)21-22-7-3-2-4-8-22/h2-4,7-8,10-13,25H,5-6,9,14-21H2,1H3,(H,27,31) |
| InChIKey | PNKNAFPTTJLTEB-UHFFFAOYSA-N |
| Molecular Weight | 436.600 g/mol |
| SMILES | C1(N(CCC1)CC=1C=CC=CC1)C(=O)NCCCN1CCN(CC1)C=1C=CC(=CC1)OC |