CHEBI:118941 - N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]-2-(2-pyridinyl)acetamide

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ChEBI Name N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]-2-(2-pyridinyl)acetamide
ChEBI ID CHEBI:118941
Stars This entity has been manually annotated by a third party.
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Formula C20H28N4O4
Net Charge 0
Average Mass 388.461
Monoisotopic Mass 388.21106
InChI InChI=1S/C20H28N4O4/c1-23-8-10-24(11-9-23)20(27)13-16-5-6-17(18(14-25)28-16)22-19(26)12-15-4-2-3-7-21-15/h2-7,16-18,25H,8-14H2,1H3,(H,22,26)/t16-,17+,18+/m1/s1
InChIKey KPQAGDNSAAOMGS-SQNIBIBYSA-N
SMILES CN1CCN(CC1)C(=O)C[C@H]2C=C[C@@H]([C@@H](O2)CO)NC(=O)CC3=CC=CC=N3
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]-2-(2-pyridinyl)acetamide (CHEBI:118941) is a N-methylpiperazine (CHEBI:46920)
Manual Xref Database
LSM-30390 LINCS
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