Summary

IMPPAT Phytochemical identifier: IMPHY007970

Phytochemical name: (2R)-1-methyl-2-[2-[(2S)-1-methyl-3-oxopiperidin-2-yl]ethyl]piperidin-3-one

Synonymous chemical names:
hyalbidone

External chemical identifiers:
CID:101608997, ZINC:ZINC000015204643

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Chemical structure information

SMILES:
CN1CCCC(=O)[C@H]1CC[C@@H]1N(C)CCCC1=O

InChI:
InChI=1S/C14H24N2O2/c1-15-9-3-5-13(17)11(15)7-8-12-14(18)6-4-10-16(12)2/h11-12H,3-10H2,1-2H3/t11-,12+

InChIKey:
ROKQWKQASDDNEO-TXEJJXNPSA-N

DeepSMILES:
CNCCCC=O)[C@H]6CC[C@@H]NC)CCCC6=O

Functional groups:
CC(C)=O, CN(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCNC1CCC1NCCCC1=O

Scaffold Graph/Node level:
OC1CCCNC1CCC1NCCCC1O

Scaffold Graph level:
CC1CCCCC1CCC1CCCCC1C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP-Likeness score: 0.214

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Chemical structure download