(3Z,6Z)-6-[(2,6-dichlorophenyl)methylidene]-3-[(4-ethoxyphenyl)methylidene]-1-methylpiperazine-2,5-dione

C21H18Cl2N2O3 — CID 67790143

IUPAC(3Z,6Z)-6-[(2,6-dichlorophenyl)methylidene]-3-[(4-ethoxyphenyl)methylidene]-1-methylpiperazine-2,5-dione
SMILESCCOc1ccc(/C=c2\[nH]c(=O)/c(=C/c3c(Cl)cccc3Cl)n(C)c2=O)cc1
InChIInChI=1S/C21H18Cl2N2O3/c1-3-28-14-9-7-13(8-10-14)11-18-21(27)25(2)19(20(26)24-18)12-15-16(22)5-4-6-17(15)23/h4-12H,3H2,1-2H3,(H,24,26)/b18-11-,19-12-
InChIKeyLPCZEMOMLKHJTF-ZAORYEFMSA-N
MW417.29 g/mol
LogP2.44
Rot. Bonds4

About (3Z,6Z)-6-[(2,6-dichlorophenyl)methylidene]-3-[(4-ethoxyphenyl)methylidene]-1-methylpiperazine-2,5-dione

(3Z,6Z)-6-[(2,6-dichlorophenyl)methylidene]-3-[(4-ethoxyphenyl)methylidene]-1-methylpiperazine-2,5-dione (PubChem CID 67790143) has the molecular formula C21H18Cl2N2O3 and a molecular weight of 417.29 g/mol. Its IUPAC name is (3Z,6Z)-6-[(2,6-dichlorophenyl)methylidene]-3-[(4-ethoxyphenyl)methylidene]-1-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3Z,6Z)-6-[(2,6-dichlorophenyl)methylidene]-3-[(4-ethoxyphenyl)methylidene]-1-methylpiperazine-2,5-dione
PubChem CID67790143
Molecular FormulaC21H18Cl2N2O3
Molecular Weight417.29 g/mol
Exact Mass416.07
IUPAC Name(3Z,6Z)-6-[(2,6-dichlorophenyl)methylidene]-3-[(4-ethoxyphenyl)methylidene]-1-methylpiperazine-2,5-dione
SMILESCCOc1ccc(/C=c2\[nH]c(=O)/c(=C/c3c(Cl)cccc3Cl)n(C)c2=O)cc1
InChIInChI=1S/C21H18Cl2N2O3/c1-3-28-14-9-7-13(8-10-14)11-18-21(27)25(2)19(20(26)24-18)12-15-16(22)5-4-6-17(15)23/h4-12H,3H2,1-2H3,(H,24,26)/b18-11-,19-12-
InChIKeyLPCZEMOMLKHJTF-ZAORYEFMSA-N
XLogP2.44
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3Z,6Z)-3-benzylidene-6-[(4-ethoxyphenyl)methylidene]-1,4-dimethylpiperazine-2,5-dione
CID 67790217
3-benzylidene-6-[(4-ethoxyphenyl)methylidene]-1,4-dimethylpiperazine-2,5-dione
CID 67790219
(3Z,6Z)-3-[(4-methoxyphenyl)methylidene]-1-methyl-6-(thiophen-2-ylmethylidene)piperazine-2,5-dione
CID 67578568
2-[(5E)-5-[(2,6-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-ethoxyphenyl)acetamide
CID 126160112
(5E)-2-(3-chloro-2-methylphenyl)imino-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135708558
3-(4-ethoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one
CID 1312699
(3Z,6Z)-3-[(4-hexoxyphenyl)methylidene]-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione
CID 67601643
tert-butyl 3-[(Z)-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-methyl-3,6-dioxopiperazin-2-ylidene]methyl]indole-1-carboxylate
CID 67578475
1-(2,6-dichlorophenyl)-N-[(E)-(4-ethoxyphenyl)methylideneamino]methanamine
CID 19059891
N'-[(2,6-dichlorophenyl)methylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 4253196
4-[(Z)-[(5Z)-5-benzylidene-4-methyl-3,6-dioxopiperazin-2-ylidene]methyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 15860174
1,3-bis(4-chlorophenyl)-5-[(4-ethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 3563074

Frequently Asked Questions

What is the IUPAC name of (3Z,6Z)-6-[(2,6-dichlorophenyl)methylidene]-3-[(4-ethoxyphenyl)methylidene]-1-methylpiperazine-2,5-dione?
The IUPAC name of (3Z,6Z)-6-[(2,6-dichlorophenyl)methylidene]-3-[(4-ethoxyphenyl)methylidene]-1-methylpiperazine-2,5-dione (CID 67790143) is (3Z,6Z)-6-[(2,6-dichlorophenyl)methylidene]-3-[(4-ethoxyphenyl)methylidene]-1-methylpiperazine-2,5-dione.
What is the SMILES notation for (3Z,6Z)-6-[(2,6-dichlorophenyl)methylidene]-3-[(4-ethoxyphenyl)methylidene]-1-methylpiperazine-2,5-dione?
The canonical SMILES for (3Z,6Z)-6-[(2,6-dichlorophenyl)methylidene]-3-[(4-ethoxyphenyl)methylidene]-1-methylpiperazine-2,5-dione is CCOc1ccc(/C=c2\[nH]c(=O)/c(=C/c3c(Cl)cccc3Cl)n(C)c2=O)cc1.
What is the InChIKey of (3Z,6Z)-6-[(2,6-dichlorophenyl)methylidene]-3-[(4-ethoxyphenyl)methylidene]-1-methylpiperazine-2,5-dione?
The InChIKey is LPCZEMOMLKHJTF-ZAORYEFMSA-N. The full InChI is InChI=1S/C21H18Cl2N2O3/c1-3-28-14-9-7-13(8-10-14)11-18-21(27)25(2)19(20(26)24-18)12-15-16(22)5-4-6-17(15)23/h4-12H,3H2,1-2H3,(H,24,26)/b18-11-,19-12-.
What are the key properties of (3Z,6Z)-6-[(2,6-dichlorophenyl)methylidene]-3-[(4-ethoxyphenyl)methylidene]-1-methylpiperazine-2,5-dione?
(3Z,6Z)-6-[(2,6-dichlorophenyl)methylidene]-3-[(4-ethoxyphenyl)methylidene]-1-methylpiperazine-2,5-dione has a molecular weight of 417.29 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z)-6-[(2,6-dichlorophenyl)methylidene]-3-[(4-ethoxyphenyl)methylidene]-1-methylpiperazine-2,5-dione is sourced from PubChem (CID 67790143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).