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1-{1'-[4-(3,3-dimethylbut-1-yn-1-yl)benzoyl]-[1,4'-bipiperidin]-4'-yl}ethan-1-one
SpectraBase Compound ID 652Z7ds22s3
InChI InChI=1S/C23H31N3O3/c1-22(2,29)11-10-18-6-8-19(9-7-18)20(27)25-16-12-23(13-17-25,21(24)28)26-14-4-3-5-15-26/h6-9,29H,3-5,12-17H2,1-2H3,(H2,24,28)
InChIKey BHTLMZMEQFNADC-UHFFFAOYSA-N
Mol Weight 397.52 g/mol
Molecular Formula C23H31N3O3
Exact Mass 397.236542 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6V5v9BUGnk1
Name 1-[4-(3-hydroxy-3-methyl-but-1-ynyl)benzoyl]-4-(1-piperidyl)piperidine-4-carboxamide
Alternate Name(s) 1-[4-(3-hydroxy-3-methyl-but-1-ynyl)benzoyl]-4-piperidino-isonipecotamide 1-[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]-4-piperidin-1-ylpiperidine-4-carboxamide 1-[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]carbonyl-4-piperidin-1-yl-piperidine-4-carboxamide 1-[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-oxomethyl]-4-(1-piperidinyl)-4-piperidinecarboxamide
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Formula C23H31N3O3
InChI InChI=1S/C23H31N3O3/c1-22(2,29)11-10-18-6-8-19(9-7-18)20(27)25-16-12-23(13-17-25,21(24)28)26-14-4-3-5-15-26/h6-9,29H,3-5,12-17H2,1-2H3,(H2,24,28)
InChIKey BHTLMZMEQFNADC-UHFFFAOYSA-N
Molecular Weight 397.519 g/mol
SMILES NC(C1(CCN(C(c2ccc(C#CC(O)(C)C)cc2)=O)CC1)N1CCCCC1)=O
SPLASH splash10-0udi-3903000000-a3fec50aa28433a6c269
Wiley ID 1454787