3-(oxolan-3-yl)-1-piperazin-1-ylpropan-1-one

C11H20N2O2 — CID 82508470

IUPAC3-(oxolan-3-yl)-1-piperazin-1-ylpropan-1-one
SMILESO=C(CCC1CCOC1)N1CCNCC1
InChIInChI=1S/C11H20N2O2/c14-11(13-6-4-12-5-7-13)2-1-10-3-8-15-9-10/h10,12H,1-9H2
InChIKeyPLUPKCRDHBTLNQ-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.23
Rot. Bonds3

About 3-(oxolan-3-yl)-1-piperazin-1-ylpropan-1-one

3-(oxolan-3-yl)-1-piperazin-1-ylpropan-1-one (PubChem CID 82508470) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-(oxolan-3-yl)-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(oxolan-3-yl)-1-piperazin-1-ylpropan-1-one
PubChem CID82508470
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3-(oxolan-3-yl)-1-piperazin-1-ylpropan-1-one
SMILESO=C(CCC1CCOC1)N1CCNCC1
InChIInChI=1S/C11H20N2O2/c14-11(13-6-4-12-5-7-13)2-1-10-3-8-15-9-10/h10,12H,1-9H2
InChIKeyPLUPKCRDHBTLNQ-UHFFFAOYSA-N
XLogP0.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-yl)-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-(oxolan-3-yl)-1-piperazin-1-ylpropan-1-one (CID 82508470) is 3-(oxolan-3-yl)-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-(oxolan-3-yl)-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-(oxolan-3-yl)-1-piperazin-1-ylpropan-1-one is O=C(CCC1CCOC1)N1CCNCC1.
What is the InChIKey of 3-(oxolan-3-yl)-1-piperazin-1-ylpropan-1-one?
The InChIKey is PLUPKCRDHBTLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c14-11(13-6-4-12-5-7-13)2-1-10-3-8-15-9-10/h10,12H,1-9H2.
What are the key properties of 3-(oxolan-3-yl)-1-piperazin-1-ylpropan-1-one?
3-(oxolan-3-yl)-1-piperazin-1-ylpropan-1-one has a molecular weight of 212.29 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-yl)-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 82508470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).