2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-piperazin-1-ylpropan-1-one

C15H27N3O — CID 65320423

IUPAC2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-piperazin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCNCC1)N1CCCC2CCCC21
InChIInChI=1S/C15H27N3O/c1-12(15(19)17-10-7-16-8-11-17)18-9-3-5-13-4-2-6-14(13)18/h12-14,16H,2-11H2,1H3
InChIKeyULPCIIUMLTXNPR-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.07
Rot. Bonds2

About 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-piperazin-1-ylpropan-1-one

2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-piperazin-1-ylpropan-1-one (PubChem CID 65320423) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-piperazin-1-ylpropan-1-one
PubChem CID65320423
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-piperazin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCNCC1)N1CCCC2CCCC21
InChIInChI=1S/C15H27N3O/c1-12(15(19)17-10-7-16-8-11-17)18-9-3-5-13-4-2-6-14(13)18/h12-14,16H,2-11H2,1H3
InChIKeyULPCIIUMLTXNPR-UHFFFAOYSA-N
XLogP1.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-piperazin-1-ylpropan-1-one (CID 65320423) is 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-piperazin-1-ylpropan-1-one is CC(C(=O)N1CCNCC1)N1CCCC2CCCC21.
What is the InChIKey of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-piperazin-1-ylpropan-1-one?
The InChIKey is ULPCIIUMLTXNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-12(15(19)17-10-7-16-8-11-17)18-9-3-5-13-4-2-6-14(13)18/h12-14,16H,2-11H2,1H3.
What are the key properties of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-piperazin-1-ylpropan-1-one?
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-piperazin-1-ylpropan-1-one has a molecular weight of 265.40 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 65320423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).