T7S
Summary
Name: | 1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethan-1-one |
Formula: | C13 H22 N2 O2 |
Formal charge: | 0 |
Formula weight: | 238.326 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethan-1-one |
OpenEye OEToolkits | 2.0.7 | 1-(4-piperidin-1-ylcarbonylpiperidin-1-yl)ethanone |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N1(CCCCC1)C(C2CCN(CC2)C(C)=O)=O |
InChI | InChI | 1.03 | InChI=1S/C13H22N2O2/c1-11(16)14-9-5-12(6-10-14)13(17)15-7-3-2-4-8-15/h12H,2-10H2,1H3 |
InChIKey | InChI | 1.03 | VFXWKIZCOQQJGS-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CCC(CC1)C(=O)N2CCCCC2 |
SMILES | CACTVS | 3.385 | CC(=O)N1CCC(CC1)C(=O)N2CCCCC2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCC(CC1)C(=O)N2CCCCC2 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCC(CC1)C(=O)N2CCCCC2 |