A1BOD
Summary
| Name: | (3S)-N~1~-(cyclopropylmethyl)piperidine-1,3-dicarboxamide |
| Formula: | C11 H19 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 225.287 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3S)-N~1~-(cyclopropylmethyl)piperidine-1,3-dicarboxamide |
| OpenEye OEToolkits | 3.1.0.0 | (3~{S})-~{N}1-(cyclopropylmethyl)piperidine-1,3-dicarboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(NCC1CC1)N1CCCC(C1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C11H19N3O2/c12-10(15)9-2-1-5-14(7-9)11(16)13-6-8-3-4-8/h8-9H,1-7H2,(H2,12,15)(H,13,16)/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | FPQQXSDKENBGCM-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)[C@H]1CCCN(C1)C(=O)NCC2CC2 |
| SMILES | CACTVS | 3.385 | NC(=O)[CH]1CCCN(C1)C(=O)NCC2CC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C1C[C@@H](CN(C1)C(=O)NCC2CC2)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C1CC(CN(C1)C(=O)NCC2CC2)C(=O)N |
