(3Z,6Z)-3-[(4-methoxyphenyl)methylidene]-1-methyl-6-(thiophen-2-ylmethylidene)piperazine-2,5-dione

C18H16N2O3S — CID 67578568

IUPAC(3Z,6Z)-3-[(4-methoxyphenyl)methylidene]-1-methyl-6-(thiophen-2-ylmethylidene)piperazine-2,5-dione
SMILESCOc1ccc(/C=c2\[nH]c(=O)/c(=C/c3cccs3)n(C)c2=O)cc1
InChIInChI=1S/C18H16N2O3S/c1-20-16(11-14-4-3-9-24-14)17(21)19-15(18(20)22)10-12-5-7-13(23-2)8-6-12/h3-11H,1-2H3,(H,19,21)/b15-10-,16-11-
InChIKeyDLEGQYONEGUJAQ-XCMCHEKJSA-N
MW340.40 g/mol
LogP0.80
Rot. Bonds3

About (3Z,6Z)-3-[(4-methoxyphenyl)methylidene]-1-methyl-6-(thiophen-2-ylmethylidene)piperazine-2,5-dione

(3Z,6Z)-3-[(4-methoxyphenyl)methylidene]-1-methyl-6-(thiophen-2-ylmethylidene)piperazine-2,5-dione (PubChem CID 67578568) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is (3Z,6Z)-3-[(4-methoxyphenyl)methylidene]-1-methyl-6-(thiophen-2-ylmethylidene)piperazine-2,5-dione.

Molecular Properties

Compound Name(3Z,6Z)-3-[(4-methoxyphenyl)methylidene]-1-methyl-6-(thiophen-2-ylmethylidene)piperazine-2,5-dione
PubChem CID67578568
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name(3Z,6Z)-3-[(4-methoxyphenyl)methylidene]-1-methyl-6-(thiophen-2-ylmethylidene)piperazine-2,5-dione
SMILESCOc1ccc(/C=c2\[nH]c(=O)/c(=C/c3cccs3)n(C)c2=O)cc1
InChIInChI=1S/C18H16N2O3S/c1-20-16(11-14-4-3-9-24-14)17(21)19-15(18(20)22)10-12-5-7-13(23-2)8-6-12/h3-11H,1-2H3,(H,19,21)/b15-10-,16-11-
InChIKeyDLEGQYONEGUJAQ-XCMCHEKJSA-N
XLogP0.80
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3Z,6Z)-3-[(4-methoxyphenyl)methylidene]-1-methyl-6-(thiophen-2-ylmethylidene)piperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3Z,6Z)-6-[(2,6-dichlorophenyl)methylidene]-3-[(4-ethoxyphenyl)methylidene]-1-methylpiperazine-2,5-dione
CID 67790143
tert-butyl 3-[(Z)-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-methyl-3,6-dioxopiperazin-2-ylidene]methyl]indole-1-carboxylate
CID 67578475
2-(4-methoxyphenyl)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 696170
(3Z,6Z)-3-(1H-indol-2-ylmethylidene)-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione
CID 67581529
(5Z)-3-[2-(4-methoxyphenyl)ethyl]-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 6528250
4-[(Z)-[(5Z)-5-benzylidene-4-methyl-3,6-dioxopiperazin-2-ylidene]methyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 15860174
6-[(4-methoxyphenyl)methylidene]-3-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 4140170
(4-methoxyphenyl) (E)-3-thiophen-2-ylprop-2-enoate
CID 137442894
(4Z)-4-[(4-methoxyphenyl)methylidene]-2-thiophen-2-yl-1,3-oxazol-5-one
CID 840009
(3Z,6Z)-3-[(4-hydroxyphenyl)methylidene]-5-methoxy-6-[(4-methoxyphenyl)methylidene]-1-methylpyrazin-2-one
CID 132571700
(3Z,6Z)-3-[(4-hexoxyphenyl)methylidene]-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione
CID 67601643
(3E,6E)-2,5-dimethoxy-3,6-bis(thiophen-2-ylmethylidene)pyrazine
CID 177420875

Frequently Asked Questions

What is the IUPAC name of (3Z,6Z)-3-[(4-methoxyphenyl)methylidene]-1-methyl-6-(thiophen-2-ylmethylidene)piperazine-2,5-dione?
The IUPAC name of (3Z,6Z)-3-[(4-methoxyphenyl)methylidene]-1-methyl-6-(thiophen-2-ylmethylidene)piperazine-2,5-dione (CID 67578568) is (3Z,6Z)-3-[(4-methoxyphenyl)methylidene]-1-methyl-6-(thiophen-2-ylmethylidene)piperazine-2,5-dione.
What is the SMILES notation for (3Z,6Z)-3-[(4-methoxyphenyl)methylidene]-1-methyl-6-(thiophen-2-ylmethylidene)piperazine-2,5-dione?
The canonical SMILES for (3Z,6Z)-3-[(4-methoxyphenyl)methylidene]-1-methyl-6-(thiophen-2-ylmethylidene)piperazine-2,5-dione is COc1ccc(/C=c2\[nH]c(=O)/c(=C/c3cccs3)n(C)c2=O)cc1.
What is the InChIKey of (3Z,6Z)-3-[(4-methoxyphenyl)methylidene]-1-methyl-6-(thiophen-2-ylmethylidene)piperazine-2,5-dione?
The InChIKey is DLEGQYONEGUJAQ-XCMCHEKJSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-20-16(11-14-4-3-9-24-14)17(21)19-15(18(20)22)10-12-5-7-13(23-2)8-6-12/h3-11H,1-2H3,(H,19,21)/b15-10-,16-11-.
What are the key properties of (3Z,6Z)-3-[(4-methoxyphenyl)methylidene]-1-methyl-6-(thiophen-2-ylmethylidene)piperazine-2,5-dione?
(3Z,6Z)-3-[(4-methoxyphenyl)methylidene]-1-methyl-6-(thiophen-2-ylmethylidene)piperazine-2,5-dione has a molecular weight of 340.40 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z)-3-[(4-methoxyphenyl)methylidene]-1-methyl-6-(thiophen-2-ylmethylidene)piperazine-2,5-dione is sourced from PubChem (CID 67578568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).