JMM

[4-(cyclopropanecarbonyl)piperazin-1-yl](furan-2-yl)methanone

Created:	2018-09-11
Last modified:	2018-10-10

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11 entries where JMM is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	5

2D diagram of JMM

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Chemical Component Summary
Name	[4-(cyclopropanecarbonyl)piperazin-1-yl](furan-2-yl)methanone
Systematic Name (OpenEye OEToolkits)	(4-cyclopropylcarbonylpiperazin-1-yl)-(furan-2-yl)methanone
Formula	C₁₃ H₁₆ N₂ O₃
Molecular Weight	248.278
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C3N(C(=O)C1CC1)CCN(C(c2ccco2)=O)C3
SMILES	CACTVS	3.385	O=C(C1CC1)N2CCN(CC2)C(=O)c3occc3
SMILES	OpenEye OEToolkits	2.0.6	c1cc(oc1)C(=O)N2CCN(CC2)C(=O)C3CC3
Canonical SMILES	CACTVS	3.385	O=C(C1CC1)N2CCN(CC2)C(=O)c3occc3
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(oc1)C(=O)N2CCN(CC2)C(=O)C3CC3
InChI	InChI	1.03	InChI=1S/C13H16N2O3/c16-12(10-3-4-10)14-5-7-15(8-6-14)13(17)11-2-1-9-18-11/h1-2,9-10H,3-8H2
InChIKey	InChI	1.03	SMBREKYBPARCFW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	1203008
ChEMBL	CHEMBL1330545

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.