AWD

~{N}-(4-fluorophenyl)-4-methyl-piperazine-1-carboxamide

Created:	2017-07-28
Last modified:	2018-08-08

Find Related PDB Entry
9 entries where AWD is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	34
Aromatic Bond Count	6

2D diagram of AWD

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	~{N}-(4-fluorophenyl)-4-methyl-piperazine-1-carboxamide
Systematic Name (OpenEye OEToolkits)	~{N}-(4-fluorophenyl)-4-methyl-piperazine-1-carboxamide
Formula	C₁₂ H₁₆ F N₃ O
Molecular Weight	237.273
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CN1CCN(CC1)C(=O)Nc2ccc(F)cc2
SMILES	OpenEye OEToolkits	2.0.6	CN1CCN(CC1)C(=O)Nc2ccc(cc2)F
Canonical SMILES	CACTVS	3.385	CN1CCN(CC1)C(=O)Nc2ccc(F)cc2
Canonical SMILES	OpenEye OEToolkits	2.0.6	CN1CCN(CC1)C(=O)Nc2ccc(cc2)F
InChI	InChI	1.03	InChI=1S/C12H16FN3O/c1-15-6-8-16(9-7-15)12(17)14-11-4-2-10(13)3-5-11/h2-5H,6-9H2,1H3,(H,14,17)
InChIKey	InChI	1.03	MDBPFVSVLGYVCQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	851986

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.