A1AQA
Summary
| Name: | [(2S)-2-methylpiperidin-1-yl](pyrazin-2-yl)methanone |
| Formula: | C11 H15 N3 O |
| Formal charge: | 0 |
| Formula weight: | 205.256 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(2S)-2-methylpiperidin-1-yl](pyrazin-2-yl)methanone |
| OpenEye OEToolkits | 2.0.7 | [(2~{S})-2-methylpiperidin-1-yl]-pyrazin-2-yl-methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC1CCCCN1C(=O)c1cnccn1 |
| InChI | InChI | 1.06 | InChI=1S/C11H15N3O/c1-9-4-2-3-7-14(9)11(15)10-8-12-5-6-13-10/h5-6,8-9H,2-4,7H2,1H3/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | MICBEIYHPVLFTJ-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CCCCN1C(=O)c2cnccn2 |
| SMILES | CACTVS | 3.385 | C[CH]1CCCCN1C(=O)c2cnccn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1CCCCN1C(=O)c2cnccn2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CCCCN1C(=O)c2cnccn2 |
