3,6-bis[(3-hydroxyphenyl)methylidene]piperazine-2,5-dione

C18H14N2O4 — CID 5205185

IUPAC3,6-bis[(3-hydroxyphenyl)methylidene]piperazine-2,5-dione
SMILESO=c1[nH]c(=Cc2cccc(O)c2)c(=O)[nH]c1=Cc1cccc(O)c1
InChIInChI=1S/C18H14N2O4/c21-13-5-1-3-11(7-13)9-15-17(23)20-16(18(24)19-15)10-12-4-2-6-14(22)8-12/h1-10,21-22H,(H,19,24)(H,20,23)
InChIKeyKKEUNBNPGVHQQB-UHFFFAOYSA-N
MW322.32 g/mol
LogP0.13
Rot. Bonds2

About 3,6-bis[(3-hydroxyphenyl)methylidene]piperazine-2,5-dione

3,6-bis[(3-hydroxyphenyl)methylidene]piperazine-2,5-dione (PubChem CID 5205185) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is 3,6-bis[(3-hydroxyphenyl)methylidene]piperazine-2,5-dione.

Molecular Properties

Compound Name3,6-bis[(3-hydroxyphenyl)methylidene]piperazine-2,5-dione
PubChem CID5205185
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC Name3,6-bis[(3-hydroxyphenyl)methylidene]piperazine-2,5-dione
SMILESO=c1[nH]c(=Cc2cccc(O)c2)c(=O)[nH]c1=Cc1cccc(O)c1
InChIInChI=1S/C18H14N2O4/c21-13-5-1-3-11(7-13)9-15-17(23)20-16(18(24)19-15)10-12-4-2-6-14(22)8-12/h1-10,21-22H,(H,19,24)(H,20,23)
InChIKeyKKEUNBNPGVHQQB-UHFFFAOYSA-N
XLogP0.13
TPSA106.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 50.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(3E,6Z)-3,6-bis[(3-hydroxyphenyl)methylidene]piperazine-2,5-dione
CID 6393556
(3Z,6Z)-3,6-bis[(4-hydroxyphenyl)methylidene]piperazine-2,5-dione
CID 6048958
(3E,6E)-3,6-dibenzylidenepiperazine-2,5-dione
CID 6992142
3,6-bis[(4-hydroxy-3-methoxyphenyl)methylidene]piperazine-2,5-dione
CID 3391519
5-[(3-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 867662
(5E)-5-[(3-hydroxyphenyl)methylidene]-1-methyl-1,3-diazinane-2,4,6-trione
CID 2201767
3-[[4-(aminomethyl)phenyl]methylidene]-6-benzylidenepiperazine-2,5-dione
CID 67601413
5-[(3-hydroxyphenyl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 873245
(3Z,6Z)-3-[(3-benzoylphenyl)methylidene]-6-(pyridin-2-ylmethylidene)piperazine-2,5-dione
CID 102222772
(4Z)-1-(4-fluorophenyl)-4-[(3-hydroxyphenyl)methylidene]pyrazolidine-3,5-dione
CID 839801
3-benzylidene-6-propylidenepiperazine-2,5-dione
CID 3866178
3-hydroxybenzaldehyde;methoxymethane
CID 163225851

Frequently Asked Questions

What is the IUPAC name of 3,6-bis[(3-hydroxyphenyl)methylidene]piperazine-2,5-dione?
The IUPAC name of 3,6-bis[(3-hydroxyphenyl)methylidene]piperazine-2,5-dione (CID 5205185) is 3,6-bis[(3-hydroxyphenyl)methylidene]piperazine-2,5-dione.
What is the SMILES notation for 3,6-bis[(3-hydroxyphenyl)methylidene]piperazine-2,5-dione?
The canonical SMILES for 3,6-bis[(3-hydroxyphenyl)methylidene]piperazine-2,5-dione is O=c1[nH]c(=Cc2cccc(O)c2)c(=O)[nH]c1=Cc1cccc(O)c1.
What is the InChIKey of 3,6-bis[(3-hydroxyphenyl)methylidene]piperazine-2,5-dione?
The InChIKey is KKEUNBNPGVHQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4/c21-13-5-1-3-11(7-13)9-15-17(23)20-16(18(24)19-15)10-12-4-2-6-14(22)8-12/h1-10,21-22H,(H,19,24)(H,20,23).
What are the key properties of 3,6-bis[(3-hydroxyphenyl)methylidene]piperazine-2,5-dione?
3,6-bis[(3-hydroxyphenyl)methylidene]piperazine-2,5-dione has a molecular weight of 322.32 g/mol, XLogP of 0.13, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis[(3-hydroxyphenyl)methylidene]piperazine-2,5-dione is sourced from PubChem (CID 5205185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).