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

Systemtic Name: (3S)-1-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide Openeye Name: (3S)-1-[1-(allylcarbamoyl)-4-piperidyl]-N-(3-pyridylmethyl)piperidine-3-carboxamide CAS Name: (3S)-1-[1-[oxo-(prop-2-enylamino)methyl]-4-piperidinyl]-N-(3-pyridinylmethyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide Traditional Name: (3S)-1-[1-(allylcarbamoyl)-4-piperidyl]-N-(3-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=CN=CC=C3

Isomeric SMILES

C=CCNC(=O)N1CCC(CC1)N2CCC[C@@H](C2)C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C21H31N5O2/c1-2-9-23-21(28)25-12-7-19(8-13-25)26-11-4-6-18(16-26)20(27)24-15-17-5-3-10-22-14-17/h2-3,5,10,14,18-19H,1,4,6-9,11-13,15-16H2,(H,23,28)(H,24,27)/t18-/m0/s1