PDB CCD ID: | A1AJM |
Number of entries in BioLiP: | 2 |
Chemical formula: | C12 H15 F N2 O |
InChI: | InChI=1S/C12H15FN2O/c13-10-4-2-9(3-5-10)12(11(14)16)6-1-7-15-8-12/h2-5,15H,1,6-8H2,(H2,14,16)/t12-/m1/s1 |
InChIKey: | AQYHAXBZALQJNL-GFCCVEGCSA-N |
SMILES: | Software | SMILES |
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ACDLabs 12.01 | O=C(N)C1(CCCNC1)c1ccc(F)cc1 | CACTVS 3.385 | NC(=O)[C]1(CCCNC1)c2ccc(F)cc2 | OpenEye OEToolkits 2.0.7 | c1cc(ccc1[C@]2(CCCNC2)C(=O)N)F | CACTVS 3.385 | NC(=O)[C@@]1(CCCNC1)c2ccc(F)cc2 | OpenEye OEToolkits 2.0.7 | c1cc(ccc1C2(CCCNC2)C(=O)N)F |
|
Name: | (3S)-3-(4-fluorophenyl)piperidine-3-carboxamide |