(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

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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).