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 |