3-hydroxy-2-(morpholin-4-ylmethyl)-6-(piperidin-1-ylmethyl)pyran-4-one

C16H24N2O4 — CID 91636870

IUPAC3-hydroxy-2-(morpholin-4-ylmethyl)-6-(piperidin-1-ylmethyl)pyran-4-one
SMILESO=c1cc(CN2CCCCC2)oc(CN2CCOCC2)c1O
InChIInChI=1S/C16H24N2O4/c19-14-10-13(11-17-4-2-1-3-5-17)22-15(16(14)20)12-18-6-8-21-9-7-18/h10,20H,1-9,11-12H2
InChIKeyASYZUWMATXSXAM-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.16
Rot. Bonds4

About 3-hydroxy-2-(morpholin-4-ylmethyl)-6-(piperidin-1-ylmethyl)pyran-4-one

3-hydroxy-2-(morpholin-4-ylmethyl)-6-(piperidin-1-ylmethyl)pyran-4-one (PubChem CID 91636870) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-hydroxy-2-(morpholin-4-ylmethyl)-6-(piperidin-1-ylmethyl)pyran-4-one.

Molecular Properties

Compound Name3-hydroxy-2-(morpholin-4-ylmethyl)-6-(piperidin-1-ylmethyl)pyran-4-one
PubChem CID91636870
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name3-hydroxy-2-(morpholin-4-ylmethyl)-6-(piperidin-1-ylmethyl)pyran-4-one
SMILESO=c1cc(CN2CCCCC2)oc(CN2CCOCC2)c1O
InChIInChI=1S/C16H24N2O4/c19-14-10-13(11-17-4-2-1-3-5-17)22-15(16(14)20)12-18-6-8-21-9-7-18/h10,20H,1-9,11-12H2
InChIKeyASYZUWMATXSXAM-UHFFFAOYSA-N
XLogP1.16
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(morpholin-4-ylmethyl)-6-(piperidin-1-ylmethyl)pyran-4-one?
The IUPAC name of 3-hydroxy-2-(morpholin-4-ylmethyl)-6-(piperidin-1-ylmethyl)pyran-4-one (CID 91636870) is 3-hydroxy-2-(morpholin-4-ylmethyl)-6-(piperidin-1-ylmethyl)pyran-4-one.
What is the SMILES notation for 3-hydroxy-2-(morpholin-4-ylmethyl)-6-(piperidin-1-ylmethyl)pyran-4-one?
The canonical SMILES for 3-hydroxy-2-(morpholin-4-ylmethyl)-6-(piperidin-1-ylmethyl)pyran-4-one is O=c1cc(CN2CCCCC2)oc(CN2CCOCC2)c1O.
What is the InChIKey of 3-hydroxy-2-(morpholin-4-ylmethyl)-6-(piperidin-1-ylmethyl)pyran-4-one?
The InChIKey is ASYZUWMATXSXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c19-14-10-13(11-17-4-2-1-3-5-17)22-15(16(14)20)12-18-6-8-21-9-7-18/h10,20H,1-9,11-12H2.
What are the key properties of 3-hydroxy-2-(morpholin-4-ylmethyl)-6-(piperidin-1-ylmethyl)pyran-4-one?
3-hydroxy-2-(morpholin-4-ylmethyl)-6-(piperidin-1-ylmethyl)pyran-4-one has a molecular weight of 308.38 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(morpholin-4-ylmethyl)-6-(piperidin-1-ylmethyl)pyran-4-one is sourced from PubChem (CID 91636870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).