OPY
Summary
| Name: | (3S)-4-oxo-4-piperidin-1-ylbutane-1,3-diamine |
| Synonyms: | GSK237826A |
| Formula: | C9 H19 N3 O |
| Formal charge: | 0 |
| Formula weight: | 185.267 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2,4-diamino-1-(piperidin-1-yl)butan-1-one |
| OpenEye OEToolkits | 1.7.0 | (2S)-2,4-bis(azanyl)-1-piperidin-1-yl-butan-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N1CCCCC1)C(N)CCN |
| SMILES_CANONICAL | CACTVS | 3.370 | NCC[C@H](N)C(=O)N1CCCCC1 |
| SMILES | CACTVS | 3.370 | NCC[CH](N)C(=O)N1CCCCC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C1CCN(CC1)C(=O)[C@H](CCN)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | C1CCN(CC1)C(=O)C(CCN)N |
| InChI | InChI | 1.03 | InChI=1S/C9H19N3O/c10-5-4-8(11)9(13)12-6-2-1-3-7-12/h8H,1-7,10-11H2/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | RKBKYSFKXFKBBM-QMMMGPOBSA-N |
