(3S)-1-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide Openeye Name: (3S)-1-[1-(allylcarbamoyl)-4-piperidyl]-N-(2-pyridylmethyl)piperidine-3-carboxamide CAS Name: (3S)-1-[1-[oxo-(prop-2-enylamino)methyl]-4-piperidinyl]-N-(2-pyridinylmethyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide Traditional Name: (3S)-1-[1-(allylcarbamoyl)-4-piperidyl]-N-(2-pyridylmethyl)nipecotamide Formula: C21H31N5O2 MolecularWeight: 385.50314

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)N1CCC(CC1)N2CCCC(C2)C(=O)NCC3=CC=CC=N3

Isomeric SMILES

C=CCNC(=O)N1CCC(CC1)N2CCC[C@@H](C2)C(=O)NCC3=CC=CC=N3

InChI

InChI=1S/C21H31N5O2/c1-2-10-23-21(28)25-13-8-19(9-14-25)26-12-5-6-17(16-26)20(27)24-15-18-7-3-4-11-22-18/h2-4,7,11,17,19H,1,5-6,8-10,12-16H2,(H,23,28)(H,24,27)/t17-/m0/s1