P8H
Summary
| Name: | 3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbonyl]pyridine |
| Formula: | C15 H20 Br N3 O |
| Formal charge: | 0 |
| Formula weight: | 338.243 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5-bromopyridin-3-yl)[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone |
| OpenEye OEToolkits | 1.7.0 | (5-bromopyridin-3-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc1cc(cnc1)C(=O)N3CCC(N2CCCC2)CC3 |
| SMILES_CANONICAL | CACTVS | 3.370 | Brc1cncc(c1)C(=O)N2CCC(CC2)N3CCCC3 |
| SMILES | CACTVS | 3.370 | Brc1cncc(c1)C(=O)N2CCC(CC2)N3CCCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1c(cncc1Br)C(=O)N2CCC(CC2)N3CCCC3 |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1c(cncc1Br)C(=O)N2CCC(CC2)N3CCCC3 |
| InChI | InChI | 1.03 | InChI=1S/C15H20BrN3O/c16-13-9-12(10-17-11-13)15(20)19-7-3-14(4-8-19)18-5-1-2-6-18/h9-11,14H,1-8H2 |
| InChIKey | InChI | 1.03 | CQERVFFAOOUFEQ-UHFFFAOYSA-N |
