3-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-6-(morpholin-4-ylmethyl)pyran-4-one

C16H25N3O4 — CID 91823693

IUPAC3-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-6-(morpholin-4-ylmethyl)pyran-4-one
SMILESCN1CCN(Cc2oc(CN3CCOCC3)cc(=O)c2O)CC1
InChIInChI=1S/C16H25N3O4/c1-17-2-4-18(5-3-17)12-15-16(21)14(20)10-13(23-15)11-19-6-8-22-9-7-19/h10,21H,2-9,11-12H2,1H3
InChIKeyCDLNQUFUHSEATB-UHFFFAOYSA-N
MW323.39 g/mol
LogP-0.08
Rot. Bonds4

About 3-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-6-(morpholin-4-ylmethyl)pyran-4-one

3-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-6-(morpholin-4-ylmethyl)pyran-4-one (PubChem CID 91823693) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is 3-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-6-(morpholin-4-ylmethyl)pyran-4-one.

Molecular Properties

Compound Name3-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-6-(morpholin-4-ylmethyl)pyran-4-one
PubChem CID91823693
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Name3-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-6-(morpholin-4-ylmethyl)pyran-4-one
SMILESCN1CCN(Cc2oc(CN3CCOCC3)cc(=O)c2O)CC1
InChIInChI=1S/C16H25N3O4/c1-17-2-4-18(5-3-17)12-15-16(21)14(20)10-13(23-15)11-19-6-8-22-9-7-19/h10,21H,2-9,11-12H2,1H3
InChIKeyCDLNQUFUHSEATB-UHFFFAOYSA-N
XLogP-0.08
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(azepan-1-ylmethyl)-3-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]pyran-4-one
CID 91640044
3-hydroxy-6-(morpholin-4-ylmethyl)-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyran-4-one
CID 91821740
3-hydroxy-2-(morpholin-4-ylmethyl)-6-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one
CID 91640157
3-hydroxy-6-(morpholin-4-ylmethyl)-2-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]pyran-4-one
CID 139559645
3-hydroxy-6-(morpholin-4-ylmethyl)-2-[(2-phenylmorpholin-4-yl)methyl]pyran-4-one
CID 91823004
3-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-6-(hydroxymethyl)pyran-4-one
CID 1279756
4-[3-hydroxy-6-(morpholin-4-ylmethyl)-4-oxopyran-2-yl]cyclohexa-3,5-diene-1,2-dione
CID 88948885
ethyl 4-[[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]methyl]piperazine-1-carboxylate
CID 675464
2-[[4-[(4-bromo-2-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-hydroxy-6-(piperidin-1-ylmethyl)pyran-4-one
CID 139572831
3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one;dihydrochloride
CID 24881388
4-[2-(4-methylpiperazin-1-yl)ethyl]morpholine
CID 20719664
methyl (3S)-3-[3-hydroxy-6-(morpholin-4-ylmethyl)-4-oxopyran-2-yl]-3-phenylpropanoate
CID 99996401

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-6-(morpholin-4-ylmethyl)pyran-4-one?
The IUPAC name of 3-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-6-(morpholin-4-ylmethyl)pyran-4-one (CID 91823693) is 3-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-6-(morpholin-4-ylmethyl)pyran-4-one.
What is the SMILES notation for 3-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-6-(morpholin-4-ylmethyl)pyran-4-one?
The canonical SMILES for 3-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-6-(morpholin-4-ylmethyl)pyran-4-one is CN1CCN(Cc2oc(CN3CCOCC3)cc(=O)c2O)CC1.
What is the InChIKey of 3-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-6-(morpholin-4-ylmethyl)pyran-4-one?
The InChIKey is CDLNQUFUHSEATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-17-2-4-18(5-3-17)12-15-16(21)14(20)10-13(23-15)11-19-6-8-22-9-7-19/h10,21H,2-9,11-12H2,1H3.
What are the key properties of 3-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-6-(morpholin-4-ylmethyl)pyran-4-one?
3-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-6-(morpholin-4-ylmethyl)pyran-4-one has a molecular weight of 323.39 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-6-(morpholin-4-ylmethyl)pyran-4-one is sourced from PubChem (CID 91823693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).