2-piperazin-1-yl-1-piperidin-1-ylethanone

C11H21N3O — CID 2760439

IUPAC2-piperazin-1-yl-1-piperidin-1-ylethanone
SMILESO=C(CN1CCNCC1)N1CCCCC1
InChIInChI=1S/C11H21N3O/c15-11(14-6-2-1-3-7-14)10-13-8-4-12-5-9-13/h12H,1-10H2
InChIKeyPCHXUJGLAFXWIW-UHFFFAOYSA-N
MW211.31 g/mol
LogP-0.10
Rot. Bonds2

About 2-piperazin-1-yl-1-piperidin-1-ylethanone

2-piperazin-1-yl-1-piperidin-1-ylethanone (PubChem CID 2760439) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-piperazin-1-yl-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-piperazin-1-yl-1-piperidin-1-ylethanone
PubChem CID2760439
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-piperazin-1-yl-1-piperidin-1-ylethanone
SMILESO=C(CN1CCNCC1)N1CCCCC1
InChIInChI=1S/C11H21N3O/c15-11(14-6-2-1-3-7-14)10-13-8-4-12-5-9-13/h12H,1-10H2
InChIKeyPCHXUJGLAFXWIW-UHFFFAOYSA-N
XLogP-0.10
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-1-piperidin-1-ylethanone?
The IUPAC name of 2-piperazin-1-yl-1-piperidin-1-ylethanone (CID 2760439) is 2-piperazin-1-yl-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-piperazin-1-yl-1-piperidin-1-ylethanone?
The canonical SMILES for 2-piperazin-1-yl-1-piperidin-1-ylethanone is O=C(CN1CCNCC1)N1CCCCC1.
What is the InChIKey of 2-piperazin-1-yl-1-piperidin-1-ylethanone?
The InChIKey is PCHXUJGLAFXWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c15-11(14-6-2-1-3-7-14)10-13-8-4-12-5-9-13/h12H,1-10H2.
What are the key properties of 2-piperazin-1-yl-1-piperidin-1-ylethanone?
2-piperazin-1-yl-1-piperidin-1-ylethanone has a molecular weight of 211.31 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-1-piperidin-1-ylethanone is sourced from PubChem (CID 2760439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).