JMM
Summary
| Name: | [4-(cyclopropanecarbonyl)piperazin-1-yl](furan-2-yl)methanone |
| Formula: | C13 H16 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 248.278 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [4-(cyclopropanecarbonyl)piperazin-1-yl](furan-2-yl)methanone |
| OpenEye OEToolkits | 2.0.6 | (4-cyclopropylcarbonylpiperazin-1-yl)-(furan-2-yl)methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C3N(C(=O)C1CC1)CCN(C(c2ccco2)=O)C3 |
| InChI | InChI | 1.03 | InChI=1S/C13H16N2O3/c16-12(10-3-4-10)14-5-7-15(8-6-14)13(17)11-2-1-9-18-11/h1-2,9-10H,3-8H2 |
| InChIKey | InChI | 1.03 | SMBREKYBPARCFW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(C1CC1)N2CCN(CC2)C(=O)c3occc3 |
| SMILES | CACTVS | 3.385 | O=C(C1CC1)N2CCN(CC2)C(=O)c3occc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(oc1)C(=O)N2CCN(CC2)C(=O)C3CC3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(oc1)C(=O)N2CCN(CC2)C(=O)C3CC3 |
