3-[(4-hydroxyphenyl)methylidene]-6-[(4-methoxyphenyl)methylamino]piperazine-2,5-dione

C19H19N3O4 — CID 67614037

IUPAC3-[(4-hydroxyphenyl)methylidene]-6-[(4-methoxyphenyl)methylamino]piperazine-2,5-dione
SMILESCOc1ccc(CNC2NC(=O)C(=Cc3ccc(O)cc3)NC2=O)cc1
InChIInChI=1S/C19H19N3O4/c1-26-15-8-4-13(5-9-15)11-20-17-19(25)21-16(18(24)22-17)10-12-2-6-14(23)7-3-12/h2-10,17,20,23H,11H2,1H3,(H,21,25)(H,22,24)
InChIKeyKZQRQJWQJWHTIC-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.10
Rot. Bonds5

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

3-[(4-hydroxyphenyl)methylidene]-6-[(4-methoxyphenyl)methylamino]piperazine-2,5-dione (PubChem CID 67614037) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 3-[(4-hydroxyphenyl)methylidene]-6-[(4-methoxyphenyl)methylamino]piperazine-2,5-dione.

Molecular Properties

Compound Name3-[(4-hydroxyphenyl)methylidene]-6-[(4-methoxyphenyl)methylamino]piperazine-2,5-dione
PubChem CID67614037
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name3-[(4-hydroxyphenyl)methylidene]-6-[(4-methoxyphenyl)methylamino]piperazine-2,5-dione
SMILESCOc1ccc(CNC2NC(=O)C(=Cc3ccc(O)cc3)NC2=O)cc1
InChIInChI=1S/C19H19N3O4/c1-26-15-8-4-13(5-9-15)11-20-17-19(25)21-16(18(24)22-17)10-12-2-6-14(23)7-3-12/h2-10,17,20,23H,11H2,1H3,(H,21,25)(H,22,24)
InChIKeyKZQRQJWQJWHTIC-UHFFFAOYSA-N
XLogP1.10
TPSA99.69 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(6R)-3-[(4-methoxyphenyl)methylidene]-6-methylpiperazine-2,5-dione
CID 905014
N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide
CID 135821327
3,5-bis[(4-methoxyphenyl)methylidene]pyrrolidine-2,4-dione
CID 2882053
(5E)-5-[(4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 727382
(5Z)-3-butanoyl-4-hydroxy-5-[(4-methoxyphenyl)methylidene]pyrrol-2-one
CID 54704540
4-[(4-methoxyphenyl)methylamino]-3,3-dimethylcyclohexan-1-one
CID 165167207
2-[3-[(2S)-5-[(4-hydroxyphenyl)methylidene]-3,6-dioxopiperazin-2-yl]propyl]guanidine
CID 162865924
methyl 5-[(4-methoxyphenyl)methylidene]-2-methylidene-4-oxopyrrolidine-3-carboxylate
CID 3480313
methyl 4-[[4-[(Z)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenoxy]methyl]benzoate
CID 6250967
(5E)-3-(benzyliminomethyl)-4-hydroxy-5-[(4-methoxyphenyl)methylidene]pyrrol-2-one
CID 135802020
2-(4-hydroxyphenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135447185
N-[(4-methoxyphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine;oxalic acid
CID 17052859

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxyphenyl)methylidene]-6-[(4-methoxyphenyl)methylamino]piperazine-2,5-dione?
The IUPAC name of 3-[(4-hydroxyphenyl)methylidene]-6-[(4-methoxyphenyl)methylamino]piperazine-2,5-dione (CID 67614037) is 3-[(4-hydroxyphenyl)methylidene]-6-[(4-methoxyphenyl)methylamino]piperazine-2,5-dione.
What is the SMILES notation for 3-[(4-hydroxyphenyl)methylidene]-6-[(4-methoxyphenyl)methylamino]piperazine-2,5-dione?
The canonical SMILES for 3-[(4-hydroxyphenyl)methylidene]-6-[(4-methoxyphenyl)methylamino]piperazine-2,5-dione is COc1ccc(CNC2NC(=O)C(=Cc3ccc(O)cc3)NC2=O)cc1.
What is the InChIKey of 3-[(4-hydroxyphenyl)methylidene]-6-[(4-methoxyphenyl)methylamino]piperazine-2,5-dione?
The InChIKey is KZQRQJWQJWHTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-26-15-8-4-13(5-9-15)11-20-17-19(25)21-16(18(24)22-17)10-12-2-6-14(23)7-3-12/h2-10,17,20,23H,11H2,1H3,(H,21,25)(H,22,24).
What are the key properties of 3-[(4-hydroxyphenyl)methylidene]-6-[(4-methoxyphenyl)methylamino]piperazine-2,5-dione?
3-[(4-hydroxyphenyl)methylidene]-6-[(4-methoxyphenyl)methylamino]piperazine-2,5-dione has a molecular weight of 353.38 g/mol, XLogP of 1.10, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxyphenyl)methylidene]-6-[(4-methoxyphenyl)methylamino]piperazine-2,5-dione is sourced from PubChem (CID 67614037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).