KB9

1-[1-(2-piperidin-4-ylethyl)-5-pyridin-4-yl-indol-2-yl]butan-1-one

Created:	2022-05-23
Last modified:	2023-04-05

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Chemical Details
Formal Charge	0
Atom Count	57
Chiral Atom Count	0
Bond Count	60
Aromatic Bond Count	16

2D diagram of KB9

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Chemical Component Summary
Name	1-[1-(2-piperidin-4-ylethyl)-5-pyridin-4-yl-indol-2-yl]butan-1-one
Systematic Name (OpenEye OEToolkits)	1-[1-(2-piperidin-4-ylethyl)-5-pyridin-4-yl-indol-2-yl]butan-1-one
Formula	C₂₄ H₂₉ N₃ O
Molecular Weight	375.507
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCCC(=O)c1cc2cc(ccc2n1CCC3CCNCC3)c4ccncc4
SMILES	OpenEye OEToolkits	2.0.7	CCCC(=O)c1cc2cc(ccc2n1CCC3CCNCC3)c4ccncc4
Canonical SMILES	CACTVS	3.385	CCCC(=O)c1cc2cc(ccc2n1CCC3CCNCC3)c4ccncc4
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCCC(=O)c1cc2cc(ccc2n1CCC3CCNCC3)c4ccncc4
InChI	InChI	1.06	InChI=1S/C24H29N3O/c1-2-3-24(28)23-17-21-16-20(19-8-13-26-14-9-19)4-5-22(21)27(23)15-10-18-6-11-25-12-7-18/h4-5,8-9,13-14,16-18,25H,2-3,6-7,10-12,15H2,1H3
InChIKey	InChI	1.06	IYABFOYSNZVVSL-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	167530894

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.