5-methoxy-2-(piperazin-1-ylmethyl)pyran-4-one

C11H16N2O3 — CID 45496557

IUPAC5-methoxy-2-(piperazin-1-ylmethyl)pyran-4-one
SMILESCOc1coc(CN2CCNCC2)cc1=O
InChIInChI=1S/C11H16N2O3/c1-15-11-8-16-9(6-10(11)14)7-13-4-2-12-3-5-13/h6,8,12H,2-5,7H2,1H3
InChIKeyDDEZSRWAOOWRNT-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.05
Rot. Bonds3

About 5-methoxy-2-(piperazin-1-ylmethyl)pyran-4-one

5-methoxy-2-(piperazin-1-ylmethyl)pyran-4-one (PubChem CID 45496557) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-methoxy-2-(piperazin-1-ylmethyl)pyran-4-one.

Molecular Properties

Compound Name5-methoxy-2-(piperazin-1-ylmethyl)pyran-4-one
PubChem CID45496557
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name5-methoxy-2-(piperazin-1-ylmethyl)pyran-4-one
SMILESCOc1coc(CN2CCNCC2)cc1=O
InChIInChI=1S/C11H16N2O3/c1-15-11-8-16-9(6-10(11)14)7-13-4-2-12-3-5-13/h6,8,12H,2-5,7H2,1H3
InChIKeyDDEZSRWAOOWRNT-UHFFFAOYSA-N
XLogP0.05
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(piperazin-1-ylmethyl)pyran-4-one?
The IUPAC name of 5-methoxy-2-(piperazin-1-ylmethyl)pyran-4-one (CID 45496557) is 5-methoxy-2-(piperazin-1-ylmethyl)pyran-4-one.
What is the SMILES notation for 5-methoxy-2-(piperazin-1-ylmethyl)pyran-4-one?
The canonical SMILES for 5-methoxy-2-(piperazin-1-ylmethyl)pyran-4-one is COc1coc(CN2CCNCC2)cc1=O.
What is the InChIKey of 5-methoxy-2-(piperazin-1-ylmethyl)pyran-4-one?
The InChIKey is DDEZSRWAOOWRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-15-11-8-16-9(6-10(11)14)7-13-4-2-12-3-5-13/h6,8,12H,2-5,7H2,1H3.
What are the key properties of 5-methoxy-2-(piperazin-1-ylmethyl)pyran-4-one?
5-methoxy-2-(piperazin-1-ylmethyl)pyran-4-one has a molecular weight of 224.26 g/mol, XLogP of 0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(piperazin-1-ylmethyl)pyran-4-one is sourced from PubChem (CID 45496557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).