5YS

~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]-4-pyridin-4-yl-piperidine-1-carboxamide

Created:2021-07-19
Last modified:  2022-07-27

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Chemical Details

Formal Charge0
Atom Count50
Chiral Atom Count1
Bond Count52
Aromatic Bond Count12
2D diagram of 5YS

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Chemical Component Summary

Name~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]-4-pyridin-4-yl-piperidine-1-carboxamide
Systematic Name (OpenEye OEToolkits)~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]-4-pyridin-4-yl-piperidine-1-carboxamide
FormulaC20 H25 N3 O2
Molecular Weight339.431
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385COc1cccc(c1)[CH](C)NC(=O)N2CCC(CC2)c3ccncc3
SMILESOpenEye OEToolkits2.0.7CC(c1cccc(c1)OC)NC(=O)N2CCC(CC2)c3ccncc3
Canonical SMILESCACTVS3.385 COc1cccc(c1)[C@@H](C)NC(=O)N2CCC(CC2)c3ccncc3
Canonical SMILESOpenEye OEToolkits2.0.7 C[C@H](c1cccc(c1)OC)NC(=O)N2CCC(CC2)c3ccncc3
InChIInChI1.03 InChI=1S/C20H25N3O2/c1-15(18-4-3-5-19(14-18)25-2)22-20(24)23-12-8-17(9-13-23)16-6-10-21-11-7-16/h3-7,10-11,14-15,17H,8-9,12-13H2,1-2H3,(H,22,24)/t15-/m1/s1
InChIKeyInChI1.03 TUPUYLLHTGZRRB-OAHLLOKOSA-N

Related Resource References

Resource NameReference
PubChem 164575485