P8H

3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbonyl]pyridine

Created:2010-10-22
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count40
Chiral Atom Count0
Bond Count42
Aromatic Bond Count6
2D diagram of P8H

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Chemical Component Summary

Name3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbonyl]pyridine
Systematic Name (OpenEye OEToolkits)(5-bromopyridin-3-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
FormulaC15 H20 Br N3 O
Molecular Weight338.243
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Brc1cc(cnc1)C(=O)N3CCC(N2CCCC2)CC3
SMILESCACTVS3.370Brc1cncc(c1)C(=O)N2CCC(CC2)N3CCCC3
SMILESOpenEye OEToolkits1.7.0c1c(cncc1Br)C(=O)N2CCC(CC2)N3CCCC3
Canonical SMILESCACTVS3.370 Brc1cncc(c1)C(=O)N2CCC(CC2)N3CCCC3
Canonical SMILESOpenEye OEToolkits1.7.0 c1c(cncc1Br)C(=O)N2CCC(CC2)N3CCCC3
InChIInChI1.03 InChI=1S/C15H20BrN3O/c16-13-9-12(10-17-11-13)15(20)19-7-3-14(4-8-19)18-5-1-2-6-18/h9-11,14H,1-8H2
InChIKeyInChI1.03 CQERVFFAOOUFEQ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 46931242
ChEMBL CHEMBL1235119
ChEBI CHEBI:95085