89W

N-[(3R)-piperidin-3-yl]benzamide

Created:	2021-09-14
Last modified:	2021-09-22

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3 entries where 89W is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	1
Bond Count	32
Aromatic Bond Count	6

2D diagram of 89W

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Chemical Component Summary
Name	N-[(3R)-piperidin-3-yl]benzamide
Systematic Name (OpenEye OEToolkits)	~{N}-[(3~{R})-piperidin-3-yl]benzamide
Formula	C₁₂ H₁₆ N₂ O
Molecular Weight	204.268
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NC1CCCNC1)c1ccccc1
SMILES	CACTVS	3.385	O=C(N[CH]1CCCNC1)c2ccccc2
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)C(=O)NC2CCCNC2
Canonical SMILES	CACTVS	3.385	O=C(N[C@@H]1CCCNC1)c2ccccc2
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)C(=O)N[C@@H]2CCCNC2
InChI	InChI	1.03	InChI=1S/C12H16N2O/c15-12(10-5-2-1-3-6-10)14-11-7-4-8-13-9-11/h1-3,5-6,11,13H,4,7-9H2,(H,14,15)/t11-/m1/s1
InChIKey	InChI	1.03	ZFLKDMGBVZHBAC-LLVKDONJSA-N

Related Resource References

Resource Name	Reference
PubChem	28114305

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.