F41

N-(1,3-benzodioxol-5-yl)-2-(piperidin-1-yl)acetamide

Created:	2010-11-15
Last modified:	2011-06-04

Find Related PDB Entry
2 entries where F41 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	37
Chiral Atom Count	0
Bond Count	39
Aromatic Bond Count	6

2D diagram of F41

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	N-(1,3-benzodioxol-5-yl)-2-(piperidin-1-yl)acetamide
Systematic Name (OpenEye OEToolkits)	N-(1,3-benzodioxol-5-yl)-2-piperidin-1-yl-ethanamide
Formula	C₁₄ H₁₈ N₂ O₃
Molecular Weight	262.304
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Nc1ccc2OCOc2c1)CN3CCCCC3
SMILES	CACTVS	3.370	O=C(CN1CCCCC1)Nc2ccc3OCOc3c2
SMILES	OpenEye OEToolkits	1.7.0	c1cc2c(cc1NC(=O)CN3CCCCC3)OCO2
Canonical SMILES	CACTVS	3.370	O=C(CN1CCCCC1)Nc2ccc3OCOc3c2
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1cc2c(cc1NC(=O)CN3CCCCC3)OCO2
InChI	InChI	1.03	InChI=1S/C14H18N2O3/c17-14(9-16-6-2-1-3-7-16)15-11-4-5-12-13(8-11)19-10-18-12/h4-5,8H,1-3,6-7,9-10H2,(H,15,17)
InChIKey	InChI	1.03	KUAQEDPYOBHGFT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	760826
ChEMBL	CHEMBL1921970

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.