A1AJM
Summary
| Name: | (3S)-3-(4-fluorophenyl)piperidine-3-carboxamide |
| Formula: | C12 H15 F N2 O |
| Formal charge: | 0 |
| Formula weight: | 222.259 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-3-(4-fluorophenyl)piperidine-3-carboxamide |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-3-(4-fluorophenyl)piperidine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N)C1(CCCNC1)c1ccc(F)cc1 |
| InChI | InChI | 1.06 | 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 | InChI | 1.06 | AQYHAXBZALQJNL-GFCCVEGCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)[C@@]1(CCCNC1)c2ccc(F)cc2 |
| SMILES | CACTVS | 3.385 | NC(=O)[C]1(CCCNC1)c2ccc(F)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1[C@]2(CCCNC2)C(=O)N)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C2(CCCNC2)C(=O)N)F |
