(3E,6Z)-3-[(4-methoxyphenyl)methylidene]-6-(2-methylpropylidene)piperazine-2,5-dione

C16H18N2O3 — CID 6382815

IUPAC(3E,6Z)-3-[(4-methoxyphenyl)methylidene]-6-(2-methylpropylidene)piperazine-2,5-dione
SMILESCOc1ccc(/C=c2/[nH]c(=O)/c(=C/C(C)C)[nH]c2=O)cc1
InChIInChI=1S/C16H18N2O3/c1-10(2)8-13-15(19)18-14(16(20)17-13)9-11-4-6-12(21-3)7-5-11/h4-10H,1-3H3,(H,17,20)(H,18,19)/b13-8-,14-9+
InChIKeyYRVUIYSTPTWLCY-NBPWYHHBSA-N
MW286.33 g/mol
LogP0.34
Rot. Bonds3

About (3E,6Z)-3-[(4-methoxyphenyl)methylidene]-6-(2-methylpropylidene)piperazine-2,5-dione

(3E,6Z)-3-[(4-methoxyphenyl)methylidene]-6-(2-methylpropylidene)piperazine-2,5-dione (PubChem CID 6382815) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is (3E,6Z)-3-[(4-methoxyphenyl)methylidene]-6-(2-methylpropylidene)piperazine-2,5-dione.

Molecular Properties

Compound Name(3E,6Z)-3-[(4-methoxyphenyl)methylidene]-6-(2-methylpropylidene)piperazine-2,5-dione
PubChem CID6382815
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name(3E,6Z)-3-[(4-methoxyphenyl)methylidene]-6-(2-methylpropylidene)piperazine-2,5-dione
SMILESCOc1ccc(/C=c2/[nH]c(=O)/c(=C/C(C)C)[nH]c2=O)cc1
InChIInChI=1S/C16H18N2O3/c1-10(2)8-13-15(19)18-14(16(20)17-13)9-11-4-6-12(21-3)7-5-11/h4-10H,1-3H3,(H,17,20)(H,18,19)/b13-8-,14-9+
InChIKeyYRVUIYSTPTWLCY-NBPWYHHBSA-N
XLogP0.34
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3E,6Z)-3-[(4-methoxyphenyl)methylidene]-6-(2-methylpropylidene)piperazine-2,5-dione?
The IUPAC name of (3E,6Z)-3-[(4-methoxyphenyl)methylidene]-6-(2-methylpropylidene)piperazine-2,5-dione (CID 6382815) is (3E,6Z)-3-[(4-methoxyphenyl)methylidene]-6-(2-methylpropylidene)piperazine-2,5-dione.
What is the SMILES notation for (3E,6Z)-3-[(4-methoxyphenyl)methylidene]-6-(2-methylpropylidene)piperazine-2,5-dione?
The canonical SMILES for (3E,6Z)-3-[(4-methoxyphenyl)methylidene]-6-(2-methylpropylidene)piperazine-2,5-dione is COc1ccc(/C=c2/[nH]c(=O)/c(=C/C(C)C)[nH]c2=O)cc1.
What is the InChIKey of (3E,6Z)-3-[(4-methoxyphenyl)methylidene]-6-(2-methylpropylidene)piperazine-2,5-dione?
The InChIKey is YRVUIYSTPTWLCY-NBPWYHHBSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10(2)8-13-15(19)18-14(16(20)17-13)9-11-4-6-12(21-3)7-5-11/h4-10H,1-3H3,(H,17,20)(H,18,19)/b13-8-,14-9+.
What are the key properties of (3E,6Z)-3-[(4-methoxyphenyl)methylidene]-6-(2-methylpropylidene)piperazine-2,5-dione?
(3E,6Z)-3-[(4-methoxyphenyl)methylidene]-6-(2-methylpropylidene)piperazine-2,5-dione has a molecular weight of 286.33 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6Z)-3-[(4-methoxyphenyl)methylidene]-6-(2-methylpropylidene)piperazine-2,5-dione is sourced from PubChem (CID 6382815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).