3-hydroxy-6-(morpholin-4-ylmethyl)-2-[(2-phenylmorpholin-4-yl)methyl]pyran-4-one

C21H26N2O5 — CID 91823004

IUPAC3-hydroxy-6-(morpholin-4-ylmethyl)-2-[(2-phenylmorpholin-4-yl)methyl]pyran-4-one
SMILESO=c1cc(CN2CCOCC2)oc(CN2CCOC(c3ccccc3)C2)c1O
InChIInChI=1S/C21H26N2O5/c24-18-12-17(13-22-6-9-26-10-7-22)28-20(21(18)25)15-23-8-11-27-19(14-23)16-4-2-1-3-5-16/h1-5,12,19,25H,6-11,13-15H2
InChIKeyBRCKWVUNURUIEH-UHFFFAOYSA-N
MW386.45 g/mol
LogP1.75
Rot. Bonds5

About 3-hydroxy-6-(morpholin-4-ylmethyl)-2-[(2-phenylmorpholin-4-yl)methyl]pyran-4-one

3-hydroxy-6-(morpholin-4-ylmethyl)-2-[(2-phenylmorpholin-4-yl)methyl]pyran-4-one (PubChem CID 91823004) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is 3-hydroxy-6-(morpholin-4-ylmethyl)-2-[(2-phenylmorpholin-4-yl)methyl]pyran-4-one.

Molecular Properties

Compound Name3-hydroxy-6-(morpholin-4-ylmethyl)-2-[(2-phenylmorpholin-4-yl)methyl]pyran-4-one
PubChem CID91823004
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Name3-hydroxy-6-(morpholin-4-ylmethyl)-2-[(2-phenylmorpholin-4-yl)methyl]pyran-4-one
SMILESO=c1cc(CN2CCOCC2)oc(CN2CCOC(c3ccccc3)C2)c1O
InChIInChI=1S/C21H26N2O5/c24-18-12-17(13-22-6-9-26-10-7-22)28-20(21(18)25)15-23-8-11-27-19(14-23)16-4-2-1-3-5-16/h1-5,12,19,25H,6-11,13-15H2
InChIKeyBRCKWVUNURUIEH-UHFFFAOYSA-N
XLogP1.75
TPSA75.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-(morpholin-4-ylmethyl)-2-[(2-phenylmorpholin-4-yl)methyl]pyran-4-one?
The IUPAC name of 3-hydroxy-6-(morpholin-4-ylmethyl)-2-[(2-phenylmorpholin-4-yl)methyl]pyran-4-one (CID 91823004) is 3-hydroxy-6-(morpholin-4-ylmethyl)-2-[(2-phenylmorpholin-4-yl)methyl]pyran-4-one.
What is the SMILES notation for 3-hydroxy-6-(morpholin-4-ylmethyl)-2-[(2-phenylmorpholin-4-yl)methyl]pyran-4-one?
The canonical SMILES for 3-hydroxy-6-(morpholin-4-ylmethyl)-2-[(2-phenylmorpholin-4-yl)methyl]pyran-4-one is O=c1cc(CN2CCOCC2)oc(CN2CCOC(c3ccccc3)C2)c1O.
What is the InChIKey of 3-hydroxy-6-(morpholin-4-ylmethyl)-2-[(2-phenylmorpholin-4-yl)methyl]pyran-4-one?
The InChIKey is BRCKWVUNURUIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c24-18-12-17(13-22-6-9-26-10-7-22)28-20(21(18)25)15-23-8-11-27-19(14-23)16-4-2-1-3-5-16/h1-5,12,19,25H,6-11,13-15H2.
What are the key properties of 3-hydroxy-6-(morpholin-4-ylmethyl)-2-[(2-phenylmorpholin-4-yl)methyl]pyran-4-one?
3-hydroxy-6-(morpholin-4-ylmethyl)-2-[(2-phenylmorpholin-4-yl)methyl]pyran-4-one has a molecular weight of 386.45 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-(morpholin-4-ylmethyl)-2-[(2-phenylmorpholin-4-yl)methyl]pyran-4-one is sourced from PubChem (CID 91823004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).