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

C19H16N2O3 — CID 54236253

IUPAC3-benzylidene-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione
SMILESCOc1ccc(C=c2[nH]c(=O)c(=Cc3ccccc3)[nH]c2=O)cc1
InChIInChI=1S/C19H16N2O3/c1-24-15-9-7-14(8-10-15)12-17-19(23)20-16(18(22)21-17)11-13-5-3-2-4-6-13/h2-12H,1H3,(H,20,23)(H,21,22)
InChIKeyQMUALMJMQXNBIA-UHFFFAOYSA-N
MW320.35 g/mol
LogP0.73
Rot. Bonds3

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

3-benzylidene-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione (PubChem CID 54236253) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-benzylidene-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione.

Molecular Properties

Compound Name3-benzylidene-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione
PubChem CID54236253
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name3-benzylidene-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione
SMILESCOc1ccc(C=c2[nH]c(=O)c(=Cc3ccccc3)[nH]c2=O)cc1
InChIInChI=1S/C19H16N2O3/c1-24-15-9-7-14(8-10-15)12-17-19(23)20-16(18(22)21-17)11-13-5-3-2-4-6-13/h2-12H,1H3,(H,20,23)(H,21,22)
InChIKeyQMUALMJMQXNBIA-UHFFFAOYSA-N
XLogP0.73
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzylidene-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione?
The IUPAC name of 3-benzylidene-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione (CID 54236253) is 3-benzylidene-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione.
What is the SMILES notation for 3-benzylidene-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione?
The canonical SMILES for 3-benzylidene-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione is COc1ccc(C=c2[nH]c(=O)c(=Cc3ccccc3)[nH]c2=O)cc1.
What is the InChIKey of 3-benzylidene-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione?
The InChIKey is QMUALMJMQXNBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-24-15-9-7-14(8-10-15)12-17-19(23)20-16(18(22)21-17)11-13-5-3-2-4-6-13/h2-12H,1H3,(H,20,23)(H,21,22).
What are the key properties of 3-benzylidene-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione?
3-benzylidene-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione has a molecular weight of 320.35 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylidene-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione is sourced from PubChem (CID 54236253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).