C23

1-[3-methyl-4-(piperidin-4-yloxy)-1-benzofuran-2-yl]-3-phenylpropan-1-one

Created:	2012-07-06
Last modified:	2014-09-05

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1 entries where C23 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	52
Chiral Atom Count	0
Bond Count	55
Aromatic Bond Count	16

2D diagram of C23

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Chemical Component Summary
Name	1-[3-methyl-4-(piperidin-4-yloxy)-1-benzofuran-2-yl]-3-phenylpropan-1-one
Systematic Name (OpenEye OEToolkits)	1-(3-methyl-4-piperidin-4-yloxy-1-benzofuran-2-yl)-3-phenyl-propan-1-one
Formula	C₂₃ H₂₅ N O₃
Molecular Weight	363.45
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c3oc2cccc(OC1CCNCC1)c2c3C)CCc4ccccc4
SMILES	CACTVS	3.385	Cc1c(oc2cccc(OC3CCNCC3)c12)C(=O)CCc4ccccc4
SMILES	OpenEye OEToolkits	1.9.2	Cc1c2c(cccc2OC3CCNCC3)oc1C(=O)CCc4ccccc4
Canonical SMILES	CACTVS	3.385	Cc1c(oc2cccc(OC3CCNCC3)c12)C(=O)CCc4ccccc4
Canonical SMILES	OpenEye OEToolkits	1.9.2	Cc1c2c(cccc2OC3CCNCC3)oc1C(=O)CCc4ccccc4
InChI	InChI	1.03	InChI=1S/C23H25NO3/c1-16-22-20(26-18-12-14-24-15-13-18)8-5-9-21(22)27-23(16)19(25)11-10-17-6-3-2-4-7-17/h2-9,18,24H,10-15H2,1H3
InChIKey	InChI	1.03	ZUAGYVKWPGUWFU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	60210953
ChEMBL	CHEMBL2171221

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.