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1-piperazinecarboxamide, 4-(1H-indol-3-ylcarbonyl)-N-[(1S)-2-[[(3-methoxyphenyl)methyl]amino]-1-methyl-2-oxoethyl]-
SpectraBase Compound ID 996yk8GcnGr
InChI InChI=1S/C25H29N5O4/c1-17(23(31)27-15-18-6-5-7-19(14-18)34-2)28-25(33)30-12-10-29(11-13-30)24(32)21-16-26-22-9-4-3-8-20(21)22/h3-9,14,16-17,26H,10-13,15H2,1-2H3,(H,27,31)(H,28,33)
InChIKey YYQLPAABLBSKLP-UHFFFAOYSA-N
Mol Weight 463.54 g/mol
Molecular Formula C25H29N5O4
Exact Mass 463.221954 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KDYfoWKRcXj
Name 1-Piperazinecarboxamide, 4-(1H-indol-3-ylcarbonyl)-N-[(1S)-2-[[(3-methoxyphenyl)methyl]amino]-1-methyl-2-oxoethyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 463.221954430 u
Formula C25H29N5O4
InChI InChI=1S/C25H29N5O4/c1-17(23(31)27-15-18-6-5-7-19(14-18)34-2)28-25(33)30-12-10-29(11-13-30)24(32)21-16-26-22-9-4-3-8-20(21)22/h3-9,14,16-17,26H,10-13,15H2,1-2H3,(H,27,31)(H,28,33)
InChIKey YYQLPAABLBSKLP-UHFFFAOYSA-N
Molecular Weight 463.538 g/mol
SMILES N(C(N1CCN(C(C2=CNC3=C2C=CC=C3)=O)CC1)=O)C(C(NCC1=CC(OC)=CC=C1)=O)C