A1AP4
Summary
| Name: | (3S)-3-(cyclohexylmethyl)piperazin-2-one |
| Formula: | C11 H20 N2 O |
| Formal charge: | 0 |
| Formula weight: | 196.289 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-3-(cyclohexylmethyl)piperazin-2-one |
| OpenEye OEToolkits | 2.0.7 | (3~{R})-3-(cyclohexylmethyl)piperazin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1NCCNC1CC1CCCCC1 |
| InChI | InChI | 1.06 | InChI=1S/C11H20N2O/c14-11-10(12-6-7-13-11)8-9-4-2-1-3-5-9/h9-10,12H,1-8H2,(H,13,14)/t10-/m1/s1 |
| InChIKey | InChI | 1.06 | MWAZDIXAEWBVMS-SNVBAGLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NCCN[C@@H]1CC2CCCCC2 |
| SMILES | CACTVS | 3.385 | O=C1NCCN[CH]1CC2CCCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1CCC(CC1)C[C@@H]2C(=O)NCCN2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CCC(CC1)CC2C(=O)NCCN2 |
