T0J
Summary
Name: | N~1~-phenylpiperidine-1,4-dicarboxamide |
Formula: | C13 H17 N3 O2 |
Formal charge: | 0 |
Formula weight: | 247.293 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | N~1~-phenylpiperidine-1,4-dicarboxamide |
OpenEye OEToolkits | 2.0.7 | ~{N}1-phenylpiperidine-1,4-dicarboxamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(N1CCC(C(N)=O)CC1)(Nc2ccccc2)=O |
InChI | InChI | 1.03 | InChI=1S/C13H17N3O2/c14-12(17)10-6-8-16(9-7-10)13(18)15-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H2,14,17)(H,15,18) |
InChIKey | InChI | 1.03 | OSBGPHZLIBZPGJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)C1CCN(CC1)C(=O)Nc2ccccc2 |
SMILES | CACTVS | 3.385 | NC(=O)C1CCN(CC1)C(=O)Nc2ccccc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)NC(=O)N2CCC(CC2)C(=O)N |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)NC(=O)N2CCC(CC2)C(=O)N |