JMM

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

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

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Chemical Details

Formal Charge0
Atom Count34
Chiral Atom Count0
Bond Count36
Aromatic Bond Count5
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
FormulaC13 H16 N2 O3
Molecular Weight248.278
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C3N(C(=O)C1CC1)CCN(C(c2ccco2)=O)C3
SMILESCACTVS3.385O=C(C1CC1)N2CCN(CC2)C(=O)c3occc3
SMILESOpenEye OEToolkits2.0.6c1cc(oc1)C(=O)N2CCN(CC2)C(=O)C3CC3
Canonical SMILESCACTVS3.385 O=C(C1CC1)N2CCN(CC2)C(=O)c3occc3
Canonical SMILESOpenEye OEToolkits2.0.6 c1cc(oc1)C(=O)N2CCN(CC2)C(=O)C3CC3
InChIInChI1.03 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
InChIKeyInChI1.03 SMBREKYBPARCFW-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 1203008
ChEMBL CHEMBL1330545