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

Systemtic Name: (3S)-1-[1-(butylcarbamoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide Openeye Name: (3S)-1-[1-(butylcarbamoyl)-4-piperidyl]-N-(2-pyridylmethyl)piperidine-3-carboxamide CAS Name: (3S)-1-[1-[butylamino(oxo)methyl]-4-piperidinyl]-N-(2-pyridinylmethyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-[1-(butylcarbamoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide Traditional Name: (3S)-1-[1-(butylcarbamoyl)-4-piperidyl]-N-(2-pyridylmethyl)nipecotamide Formula: C22H35N5O2 MolecularWeight: 401.5456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35N5O2/c1-2-3-11-24-22(29)26-14-9-20(10-15-26)27-13-6-7-18(17-27)21(28)25-16-19-8-4-5-12-23-19/h4-5,8,12,18,20H,2-3,6-7,9-11,13-17H2,1H3,(H,24,29)(H,25,28)/t18-/m0/s1