F41

N-(1,3-benzodioxol-5-yl)-2-(piperidin-1-yl)acetamide

Created:2010-11-15
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count37
Chiral Atom Count0
Bond Count39
Aromatic Bond Count6
2D diagram of F41

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Chemical Component Summary

NameN-(1,3-benzodioxol-5-yl)-2-(piperidin-1-yl)acetamide
Systematic Name (OpenEye OEToolkits)N-(1,3-benzodioxol-5-yl)-2-piperidin-1-yl-ethanamide
FormulaC14 H18 N2 O3
Molecular Weight262.304
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Nc1ccc2OCOc2c1)CN3CCCCC3
SMILESCACTVS3.370O=C(CN1CCCCC1)Nc2ccc3OCOc3c2
SMILESOpenEye OEToolkits1.7.0c1cc2c(cc1NC(=O)CN3CCCCC3)OCO2
Canonical SMILESCACTVS3.370 O=C(CN1CCCCC1)Nc2ccc3OCOc3c2
Canonical SMILESOpenEye OEToolkits1.7.0 c1cc2c(cc1NC(=O)CN3CCCCC3)OCO2
InChIInChI1.03 InChI=1S/C14H18N2O3/c17-14(9-16-6-2-1-3-7-16)15-11-4-5-12-13(8-11)19-10-18-12/h4-5,8H,1-3,6-7,9-10H2,(H,15,17)
InChIKeyInChI1.03 KUAQEDPYOBHGFT-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 760826
ChEMBL CHEMBL1921970