5-hydroxy-2-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]pyran-4-one

C13H19N3O4 — CID 61017904

IUPAC5-hydroxy-2-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]pyran-4-one
SMILESCN(CC(=O)N1CCNCC1)Cc1cc(=O)c(O)co1
InChIInChI=1S/C13H19N3O4/c1-15(7-10-6-11(17)12(18)9-20-10)8-13(19)16-4-2-14-3-5-16/h6,9,14,18H,2-5,7-8H2,1H3
InChIKeyLYVBCEYDAKPTRQ-UHFFFAOYSA-N
MW281.31 g/mol
LogP-0.79
Rot. Bonds4

About 5-hydroxy-2-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]pyran-4-one

5-hydroxy-2-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]pyran-4-one (PubChem CID 61017904) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-hydroxy-2-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]pyran-4-one.

Molecular Properties

Compound Name5-hydroxy-2-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]pyran-4-one
PubChem CID61017904
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name5-hydroxy-2-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]pyran-4-one
SMILESCN(CC(=O)N1CCNCC1)Cc1cc(=O)c(O)co1
InChIInChI=1S/C13H19N3O4/c1-15(7-10-6-11(17)12(18)9-20-10)8-13(19)16-4-2-14-3-5-16/h6,9,14,18H,2-5,7-8H2,1H3
InChIKeyLYVBCEYDAKPTRQ-UHFFFAOYSA-N
XLogP-0.79
TPSA86.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]pyran-4-one?
The IUPAC name of 5-hydroxy-2-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]pyran-4-one (CID 61017904) is 5-hydroxy-2-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]pyran-4-one.
What is the SMILES notation for 5-hydroxy-2-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]pyran-4-one?
The canonical SMILES for 5-hydroxy-2-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]pyran-4-one is CN(CC(=O)N1CCNCC1)Cc1cc(=O)c(O)co1.
What is the InChIKey of 5-hydroxy-2-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]pyran-4-one?
The InChIKey is LYVBCEYDAKPTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-15(7-10-6-11(17)12(18)9-20-10)8-13(19)16-4-2-14-3-5-16/h6,9,14,18H,2-5,7-8H2,1H3.
What are the key properties of 5-hydroxy-2-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]pyran-4-one?
5-hydroxy-2-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]pyran-4-one has a molecular weight of 281.31 g/mol, XLogP of -0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]pyran-4-one is sourced from PubChem (CID 61017904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).