(3E,6E)-3,6-dibenzylidenepiperazine-2,5-dione

C18H14N2O2 — CID 6992142

IUPAC(3E,6E)-3,6-dibenzylidenepiperazine-2,5-dione
SMILESO=c1[nH]/c(=C/c2ccccc2)c(=O)[nH]/c1=C/c1ccccc1
InChIInChI=1S/C18H14N2O2/c21-17-15(11-13-7-3-1-4-8-13)19-18(22)16(20-17)12-14-9-5-2-6-10-14/h1-12H,(H,19,22)(H,20,21)/b15-11+,16-12+
InChIKeyRFSUEJIDSYCCLL-JOBJLJCHSA-N
MW290.32 g/mol
LogP0.72
Rot. Bonds2

About (3E,6E)-3,6-dibenzylidenepiperazine-2,5-dione

(3E,6E)-3,6-dibenzylidenepiperazine-2,5-dione (PubChem CID 6992142) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is (3E,6E)-3,6-dibenzylidenepiperazine-2,5-dione.

Molecular Properties

Compound Name(3E,6E)-3,6-dibenzylidenepiperazine-2,5-dione
PubChem CID6992142
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name(3E,6E)-3,6-dibenzylidenepiperazine-2,5-dione
SMILESO=c1[nH]/c(=C/c2ccccc2)c(=O)[nH]/c1=C/c1ccccc1
InChIInChI=1S/C18H14N2O2/c21-17-15(11-13-7-3-1-4-8-13)19-18(22)16(20-17)12-14-9-5-2-6-10-14/h1-12H,(H,19,22)(H,20,21)/b15-11+,16-12+
InChIKeyRFSUEJIDSYCCLL-JOBJLJCHSA-N
XLogP0.72
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3E,6E)-3,6-dibenzylidenepiperazine-2,5-dione?
The IUPAC name of (3E,6E)-3,6-dibenzylidenepiperazine-2,5-dione (CID 6992142) is (3E,6E)-3,6-dibenzylidenepiperazine-2,5-dione.
What is the SMILES notation for (3E,6E)-3,6-dibenzylidenepiperazine-2,5-dione?
The canonical SMILES for (3E,6E)-3,6-dibenzylidenepiperazine-2,5-dione is O=c1[nH]/c(=C/c2ccccc2)c(=O)[nH]/c1=C/c1ccccc1.
What is the InChIKey of (3E,6E)-3,6-dibenzylidenepiperazine-2,5-dione?
The InChIKey is RFSUEJIDSYCCLL-JOBJLJCHSA-N. The full InChI is InChI=1S/C18H14N2O2/c21-17-15(11-13-7-3-1-4-8-13)19-18(22)16(20-17)12-14-9-5-2-6-10-14/h1-12H,(H,19,22)(H,20,21)/b15-11+,16-12+.
What are the key properties of (3E,6E)-3,6-dibenzylidenepiperazine-2,5-dione?
(3E,6E)-3,6-dibenzylidenepiperazine-2,5-dione has a molecular weight of 290.32 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6E)-3,6-dibenzylidenepiperazine-2,5-dione is sourced from PubChem (CID 6992142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).