648
Summary
Name: | 1-[3-(thiophen-3-yl)benzyl]piperidin-2-one |
Formula: | C16 H17 N O S |
Formal charge: | 0 |
Formula weight: | 271.377 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 1-[3-(thiophen-3-yl)benzyl]piperidin-2-one |
OpenEye OEToolkits | 2.0.4 | 1-[(3-thiophen-3-ylphenyl)methyl]piperidin-2-one |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1CC(=O)N(CC1)Cc2cc(ccc2)c3ccsc3 |
InChI | InChI | 1.03 | InChI=1S/C16H17NOS/c18-16-6-1-2-8-17(16)11-13-4-3-5-14(10-13)15-7-9-19-12-15/h3-5,7,9-10,12H,1-2,6,8,11H2 |
InChIKey | InChI | 1.03 | UMRKGGGHCYSVML-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C1CCCCN1Cc2cccc(c2)c3cscc3 |
SMILES | CACTVS | 3.385 | O=C1CCCCN1Cc2cccc(c2)c3cscc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc(cc(c1)c2ccsc2)CN3CCCCC3=O |
SMILES | OpenEye OEToolkits | 2.0.4 | c1cc(cc(c1)c2ccsc2)CN3CCCCC3=O |