5-methoxy-2-(piperazine-1-carbonyl)pyran-4-one

C11H14N2O4 — CID 82511008

IUPAC5-methoxy-2-(piperazine-1-carbonyl)pyran-4-one
SMILESCOc1coc(C(=O)N2CCNCC2)cc1=O
InChIInChI=1S/C11H14N2O4/c1-16-10-7-17-9(6-8(10)14)11(15)13-4-2-12-3-5-13/h6-7,12H,2-5H2,1H3
InChIKeyPBGZJMWAKHYDCK-UHFFFAOYSA-N
MW238.24 g/mol
LogP-0.31
Rot. Bonds2

About 5-methoxy-2-(piperazine-1-carbonyl)pyran-4-one

5-methoxy-2-(piperazine-1-carbonyl)pyran-4-one (PubChem CID 82511008) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 5-methoxy-2-(piperazine-1-carbonyl)pyran-4-one.

Molecular Properties

Compound Name5-methoxy-2-(piperazine-1-carbonyl)pyran-4-one
PubChem CID82511008
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name5-methoxy-2-(piperazine-1-carbonyl)pyran-4-one
SMILESCOc1coc(C(=O)N2CCNCC2)cc1=O
InChIInChI=1S/C11H14N2O4/c1-16-10-7-17-9(6-8(10)14)11(15)13-4-2-12-3-5-13/h6-7,12H,2-5H2,1H3
InChIKeyPBGZJMWAKHYDCK-UHFFFAOYSA-N
XLogP-0.31
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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(4-Hydroxy-5-methoxypyridin-2-yl)(morpholin-4-yl)methanone
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N-(2-aminoethyl)-3-hydroxy-4-oxopyran-2-carboxamide
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5-Hydroxy-2-[(4-methylpiperazin-4-ium-1-yl)methyl]pyran-4-one
CID 57629430
piperazin-1-yl(4H-pyran-2-yl)methanone
CID 70333816
2,3-Dihydrofuran-5-yl(piperazin-1-yl)methanone
CID 70343538
ethane;(Z)-2-methoxy-1-piperazin-1-ylpent-2-en-1-one
CID 142145699
(Z)-2-methoxy-1-piperazin-1-ylpent-2-en-1-one
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N-[2-(methylamino)ethyl]-2,3-dihydrofuran-5-carboxamide
CID 164089218
4-Oxo-6-(piperazin-1-ium-1-ylmethyl)pyran-3-olate
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CID 45496557

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(piperazine-1-carbonyl)pyran-4-one?
The IUPAC name of 5-methoxy-2-(piperazine-1-carbonyl)pyran-4-one (CID 82511008) is 5-methoxy-2-(piperazine-1-carbonyl)pyran-4-one.
What is the SMILES notation for 5-methoxy-2-(piperazine-1-carbonyl)pyran-4-one?
The canonical SMILES for 5-methoxy-2-(piperazine-1-carbonyl)pyran-4-one is COc1coc(C(=O)N2CCNCC2)cc1=O.
What is the InChIKey of 5-methoxy-2-(piperazine-1-carbonyl)pyran-4-one?
The InChIKey is PBGZJMWAKHYDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-16-10-7-17-9(6-8(10)14)11(15)13-4-2-12-3-5-13/h6-7,12H,2-5H2,1H3.
What are the key properties of 5-methoxy-2-(piperazine-1-carbonyl)pyran-4-one?
5-methoxy-2-(piperazine-1-carbonyl)pyran-4-one has a molecular weight of 238.24 g/mol, XLogP of -0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(piperazine-1-carbonyl)pyran-4-one is sourced from PubChem (CID 82511008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).