841

~{N}-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide

Created:2015-11-26
Last modified:  2016-02-03

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Chemical Details

Formal Charge0
Atom Count45
Chiral Atom Count0
Bond Count47
Aromatic Bond Count6
2D diagram of 841

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Chemical Component Summary

Name~{N}-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide
Systematic Name (OpenEye OEToolkits)~{N}-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide
FormulaC16 H24 N4 O
Molecular Weight288.388
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385O=C(NCC1CCN(CC1)c2ccccn2)N3CCCC3
SMILESOpenEye OEToolkits2.0.4c1ccnc(c1)N2CCC(CC2)CNC(=O)N3CCCC3
Canonical SMILESCACTVS3.385 O=C(NCC1CCN(CC1)c2ccccn2)N3CCCC3
Canonical SMILESOpenEye OEToolkits2.0.4 c1ccnc(c1)N2CCC(CC2)CNC(=O)N3CCCC3
InChIInChI1.03 InChI=1S/C16H24N4O/c21-16(20-9-3-4-10-20)18-13-14-6-11-19(12-7-14)15-5-1-2-8-17-15/h1-2,5,8,14H,3-4,6-7,9-13H2,(H,18,21)
InChIKeyInChI1.03 FCULEXINIXPVIT-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 117072449