1-ethanoylpiperidine-4-carboxylic acid; 1-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethanone

Systemtic Name: 1-ethanoylpiperidine-4-carboxylic acid; 1-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethanone Openeye Name: 1-acetylpiperidine-4-carboxylic acid; 1-[4-(4-fluorobenzoyl)-1-piperidyl]ethanone CAS Name: 1-acetyl-4-piperidinecarboxylic acid; 1-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]ethanone IUPAC Name: 1-acetylpiperidine-4-carboxylic acid; 1-[4-(4-fluorobenzoyl)piperidin-1-yl]ethanone Traditional Name: 1-acetylisonipecotic acid; 1-[4-(4-fluorobenzoyl)piperidino]ethanone Formula: C22H29FN2O5 MolecularWeight: 420.474463

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)C(=O)C2=CC=C(C=C2)F.CC(=O)N1CCC(CC1)C(=O)O

Isomeric SMILES

CC(=O)N1CCC(CC1)C(=O)C2=CC=C(C=C2)F.CC(=O)N1CCC(CC1)C(=O)O

InChI

InChI=1S/C14H16FNO2.C8H13NO3/c1-10(17)16-8-6-12(7-9-16)14(18)11-2-4-13(15)5-3-11;1-6(10)9-4-2-7(3-5-9)8(11)12/h2-5,12H,6-9H2,1H3;7H,2-5H2,1H3,(H,11,12)