(3S)-1-(2,2-dimethylpropyl)-3-oxidanyl-3-[(pyridin-3-ylmethylamino)methyl]piperidin-2-one

Systemtic Name: (3S)-1-(2,2-dimethylpropyl)-3-oxidanyl-3-[(pyridin-3-ylmethylamino)methyl]piperidin-2-one Openeye Name: (3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[(3-pyridylmethylamino)methyl]piperidin-2-one CAS Name: (3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[(3-pyridinylmethylamino)methyl]-2-piperidinone IUPAC Name: (3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[(pyridin-3-ylmethylamino)methyl]piperidin-2-one Traditional Name: (3S)-3-hydroxy-1-neopentyl-3-[(3-pyridylmethylamino)methyl]-2-piperidone Formula: C17H27N3O2 MolecularWeight: 305.41518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1CCCC(C1=O)(CNCC2=CN=CC=C2)O

Isomeric SMILES

CC(C)(C)CN1CCC[C@@](C1=O)(CNCC2=CN=CC=C2)O

InChI

InChI=1S/C17H27N3O2/c1-16(2,3)13-20-9-5-7-17(22,15(20)21)12-19-11-14-6-4-8-18-10-14/h4,6,8,10,19,22H,5,7,9,11-13H2,1-3H3/t17-/m0/s1