(3E,6E)-3,6-bis[(2-methoxyphenyl)methylidene]piperazine-2,5-dione

C20H18N2O4 — CID 5437711

IUPAC(3E,6E)-3,6-bis[(2-methoxyphenyl)methylidene]piperazine-2,5-dione
SMILESCOc1ccccc1/C=c1/[nH]c(=O)/c(=C\c2ccccc2OC)[nH]c1=O
InChIInChI=1S/C20H18N2O4/c1-25-17-9-5-3-7-13(17)11-15-19(23)22-16(20(24)21-15)12-14-8-4-6-10-18(14)26-2/h3-12H,1-2H3,(H,21,24)(H,22,23)/b15-11+,16-12+
InChIKeySVXGBEWJMBBCQR-JOBJLJCHSA-N
MW350.37 g/mol
LogP0.74
Rot. Bonds4

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

(3E,6E)-3,6-bis[(2-methoxyphenyl)methylidene]piperazine-2,5-dione (PubChem CID 5437711) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is (3E,6E)-3,6-bis[(2-methoxyphenyl)methylidene]piperazine-2,5-dione.

Molecular Properties

Compound Name(3E,6E)-3,6-bis[(2-methoxyphenyl)methylidene]piperazine-2,5-dione
PubChem CID5437711
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name(3E,6E)-3,6-bis[(2-methoxyphenyl)methylidene]piperazine-2,5-dione
SMILESCOc1ccccc1/C=c1/[nH]c(=O)/c(=C\c2ccccc2OC)[nH]c1=O
InChIInChI=1S/C20H18N2O4/c1-25-17-9-5-3-7-13(17)11-15-19(23)22-16(20(24)21-15)12-14-8-4-6-10-18(14)26-2/h3-12H,1-2H3,(H,21,24)(H,22,23)/b15-11+,16-12+
InChIKeySVXGBEWJMBBCQR-JOBJLJCHSA-N
XLogP0.74
TPSA84.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3E,6E)-3,6-bis[(2-methoxyphenyl)methylidene]piperazine-2,5-dione?
The IUPAC name of (3E,6E)-3,6-bis[(2-methoxyphenyl)methylidene]piperazine-2,5-dione (CID 5437711) is (3E,6E)-3,6-bis[(2-methoxyphenyl)methylidene]piperazine-2,5-dione.
What is the SMILES notation for (3E,6E)-3,6-bis[(2-methoxyphenyl)methylidene]piperazine-2,5-dione?
The canonical SMILES for (3E,6E)-3,6-bis[(2-methoxyphenyl)methylidene]piperazine-2,5-dione is COc1ccccc1/C=c1/[nH]c(=O)/c(=C\c2ccccc2OC)[nH]c1=O.
What is the InChIKey of (3E,6E)-3,6-bis[(2-methoxyphenyl)methylidene]piperazine-2,5-dione?
The InChIKey is SVXGBEWJMBBCQR-JOBJLJCHSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-25-17-9-5-3-7-13(17)11-15-19(23)22-16(20(24)21-15)12-14-8-4-6-10-18(14)26-2/h3-12H,1-2H3,(H,21,24)(H,22,23)/b15-11+,16-12+.
What are the key properties of (3E,6E)-3,6-bis[(2-methoxyphenyl)methylidene]piperazine-2,5-dione?
(3E,6E)-3,6-bis[(2-methoxyphenyl)methylidene]piperazine-2,5-dione has a molecular weight of 350.37 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6E)-3,6-bis[(2-methoxyphenyl)methylidene]piperazine-2,5-dione is sourced from PubChem (CID 5437711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).