3,6-bis[(4-hydroxy-3-methoxyphenyl)methylidene]piperazine-2,5-dione

C20H18N2O6 — CID 3391519

IUPAC3,6-bis[(4-hydroxy-3-methoxyphenyl)methylidene]piperazine-2,5-dione
SMILESCOc1cc(C=c2[nH]c(=O)c(=Cc3ccc(O)c(OC)c3)[nH]c2=O)ccc1O
InChIInChI=1S/C20H18N2O6/c1-27-17-9-11(3-5-15(17)23)7-13-19(25)22-14(20(26)21-13)8-12-4-6-16(24)18(10-12)28-2/h3-10,23-24H,1-2H3,(H,21,26)(H,22,25)
InChIKeyIXHFRXDLUKWPHG-UHFFFAOYSA-N
MW382.37 g/mol
LogP0.15
Rot. Bonds4

About 3,6-bis[(4-hydroxy-3-methoxyphenyl)methylidene]piperazine-2,5-dione

3,6-bis[(4-hydroxy-3-methoxyphenyl)methylidene]piperazine-2,5-dione (PubChem CID 3391519) has the molecular formula C20H18N2O6 and a molecular weight of 382.37 g/mol. Its IUPAC name is 3,6-bis[(4-hydroxy-3-methoxyphenyl)methylidene]piperazine-2,5-dione.

Molecular Properties

Compound Name3,6-bis[(4-hydroxy-3-methoxyphenyl)methylidene]piperazine-2,5-dione
PubChem CID3391519
Molecular FormulaC20H18N2O6
Molecular Weight382.37 g/mol
Exact Mass382.12
IUPAC Name3,6-bis[(4-hydroxy-3-methoxyphenyl)methylidene]piperazine-2,5-dione
SMILESCOc1cc(C=c2[nH]c(=O)c(=Cc3ccc(O)c(OC)c3)[nH]c2=O)ccc1O
InChIInChI=1S/C20H18N2O6/c1-27-17-9-11(3-5-15(17)23)7-13-19(25)22-14(20(26)21-13)8-12-4-6-16(24)18(10-12)28-2/h3-10,23-24H,1-2H3,(H,21,26)(H,22,25)
InChIKeyIXHFRXDLUKWPHG-UHFFFAOYSA-N
XLogP0.15
TPSA124.64 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 50.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-bis[(4-hydroxy-3-methoxyphenyl)methylidene]piperidin-4-one
CID 72983742
CID 130345281
CID 130345281
2,6-bis[(4-hydroxy-3-methoxyphenyl)methylidene]cyclohexan-1-one
CID 11366
(6E)-2,6-bis[(4-hydroxy-3-methoxyphenyl)methylidene]cyclohexan-1-one
CID 969490
(2Z,7Z)-2,7-bis[(4-hydroxy-3-methoxyphenyl)methylidene]cycloheptan-1-one
CID 177487942
(3Z)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]pyrrolidine-2,4-dione
CID 741231
(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methylsulfonylimidazolidine-2,4-dione
CID 141167156
10-[(4-hydroxy-3-methoxyphenyl)methylidene]anthracen-9-one
CID 12516081
(3E,6Z)-3,6-bis[(3-hydroxyphenyl)methylidene]piperazine-2,5-dione
CID 6393556
3,6-bis[(3-hydroxyphenyl)methylidene]piperazine-2,5-dione
CID 5205185
(3Z,5E)-1-acetyl-3,5-bis[(4-hydroxy-3-methoxyphenyl)methylidene]piperidin-4-one
CID 86580608
4-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methylidene-1,2-oxazolidin-5-one
CID 4282741

Frequently Asked Questions

What is the IUPAC name of 3,6-bis[(4-hydroxy-3-methoxyphenyl)methylidene]piperazine-2,5-dione?
The IUPAC name of 3,6-bis[(4-hydroxy-3-methoxyphenyl)methylidene]piperazine-2,5-dione (CID 3391519) is 3,6-bis[(4-hydroxy-3-methoxyphenyl)methylidene]piperazine-2,5-dione.
What is the SMILES notation for 3,6-bis[(4-hydroxy-3-methoxyphenyl)methylidene]piperazine-2,5-dione?
The canonical SMILES for 3,6-bis[(4-hydroxy-3-methoxyphenyl)methylidene]piperazine-2,5-dione is COc1cc(C=c2[nH]c(=O)c(=Cc3ccc(O)c(OC)c3)[nH]c2=O)ccc1O.
What is the InChIKey of 3,6-bis[(4-hydroxy-3-methoxyphenyl)methylidene]piperazine-2,5-dione?
The InChIKey is IXHFRXDLUKWPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O6/c1-27-17-9-11(3-5-15(17)23)7-13-19(25)22-14(20(26)21-13)8-12-4-6-16(24)18(10-12)28-2/h3-10,23-24H,1-2H3,(H,21,26)(H,22,25).
What are the key properties of 3,6-bis[(4-hydroxy-3-methoxyphenyl)methylidene]piperazine-2,5-dione?
3,6-bis[(4-hydroxy-3-methoxyphenyl)methylidene]piperazine-2,5-dione has a molecular weight of 382.37 g/mol, XLogP of 0.15, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis[(4-hydroxy-3-methoxyphenyl)methylidene]piperazine-2,5-dione is sourced from PubChem (CID 3391519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).