(3Z,6Z)-3-[(3-benzoylphenyl)methylidene]-6-(pyridin-2-ylmethylidene)piperazine-2,5-dione

C24H17N3O3 — CID 102222772

IUPAC(3Z,6Z)-3-[(3-benzoylphenyl)methylidene]-6-(pyridin-2-ylmethylidene)piperazine-2,5-dione
SMILESO=C(c1ccccc1)c1cccc(/C=c2\[nH]c(=O)/c(=C/c3ccccn3)[nH]c2=O)c1
InChIInChI=1S/C24H17N3O3/c28-22(17-8-2-1-3-9-17)18-10-6-7-16(13-18)14-20-23(29)27-21(24(30)26-20)15-19-11-4-5-12-25-19/h1-15H,(H,26,30)(H,27,29)/b20-14-,21-15-
InChIKeyCDRIOEPHHOSTPX-SIBCGJTDSA-N
MW395.42 g/mol
LogP1.35
Rot. Bonds4

About (3Z,6Z)-3-[(3-benzoylphenyl)methylidene]-6-(pyridin-2-ylmethylidene)piperazine-2,5-dione

(3Z,6Z)-3-[(3-benzoylphenyl)methylidene]-6-(pyridin-2-ylmethylidene)piperazine-2,5-dione (PubChem CID 102222772) has the molecular formula C24H17N3O3 and a molecular weight of 395.42 g/mol. Its IUPAC name is (3Z,6Z)-3-[(3-benzoylphenyl)methylidene]-6-(pyridin-2-ylmethylidene)piperazine-2,5-dione.

Molecular Properties

Compound Name(3Z,6Z)-3-[(3-benzoylphenyl)methylidene]-6-(pyridin-2-ylmethylidene)piperazine-2,5-dione
PubChem CID102222772
Molecular FormulaC24H17N3O3
Molecular Weight395.42 g/mol
Exact Mass395.13
IUPAC Name(3Z,6Z)-3-[(3-benzoylphenyl)methylidene]-6-(pyridin-2-ylmethylidene)piperazine-2,5-dione
SMILESO=C(c1ccccc1)c1cccc(/C=c2\[nH]c(=O)/c(=C/c3ccccn3)[nH]c2=O)c1
InChIInChI=1S/C24H17N3O3/c28-22(17-8-2-1-3-9-17)18-10-6-7-16(13-18)14-20-23(29)27-21(24(30)26-20)15-19-11-4-5-12-25-19/h1-15H,(H,26,30)(H,27,29)/b20-14-,21-15-
InChIKeyCDRIOEPHHOSTPX-SIBCGJTDSA-N
XLogP1.35
TPSA95.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3Z,6Z)-3-[(3-benzoylphenyl)methylidene]-6-(pyridin-2-ylmethylidene)piperazine-2,5-dione with MolForge

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Related Compounds

3-[(3-benzoylphenyl)methylidene]-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione
CID 74385462
3-[[3-(4-fluorobenzoyl)phenyl]methylidene]-6-[(5-methoxy-2-pyridinyl)methylidene]piperazine-2,5-dione
CID 175979321
3-[[3-(4-fluorobenzoyl)phenyl]methylidene]-6-[(3-phenylmethoxy-2-pyridinyl)methylidene]piperazine-2,5-dione
CID 175979307
3-[(4-nitrophenyl)methylidene]-6-(pyridin-2-ylmethylidene)piperazine-2,5-dione
CID 3401142
(3Z,6Z)-3-[[3-(4-bromobenzoyl)phenyl]methylidene]-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione
CID 53307172
(3Z,6Z)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[[3-(3-chlorobenzoyl)phenyl]methylidene]piperazine-2,5-dione
CID 53308157
(3E,6E)-3,6-dibenzylidenepiperazine-2,5-dione
CID 6992142
3-[(2-bromo-5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-[[3-(4-fluorobenzoyl)phenyl]methylidene]piperazine-2,5-dione
CID 175979293
(3E,6Z)-3-benzylidene-6-[(5-methyl-2-pyridinyl)methylidene]piperazine-2,5-dione
CID 20597820
(3E,6Z)-3,6-bis[(3-hydroxyphenyl)methylidene]piperazine-2,5-dione
CID 6393556
(3Z,6Z)-3-[(E)-3-(3-benzoylphenyl)prop-2-enylidene]-6-[(E)-3-(5-tert-butyl-1H-imidazol-4-yl)prop-2-enylidene]piperazine-2,5-dione
CID 142321569
(3E,6E)-3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-(pyridin-2-ylmethylidene)piperazine-2,5-dione
CID 21031428

Frequently Asked Questions

What is the IUPAC name of (3Z,6Z)-3-[(3-benzoylphenyl)methylidene]-6-(pyridin-2-ylmethylidene)piperazine-2,5-dione?
The IUPAC name of (3Z,6Z)-3-[(3-benzoylphenyl)methylidene]-6-(pyridin-2-ylmethylidene)piperazine-2,5-dione (CID 102222772) is (3Z,6Z)-3-[(3-benzoylphenyl)methylidene]-6-(pyridin-2-ylmethylidene)piperazine-2,5-dione.
What is the SMILES notation for (3Z,6Z)-3-[(3-benzoylphenyl)methylidene]-6-(pyridin-2-ylmethylidene)piperazine-2,5-dione?
The canonical SMILES for (3Z,6Z)-3-[(3-benzoylphenyl)methylidene]-6-(pyridin-2-ylmethylidene)piperazine-2,5-dione is O=C(c1ccccc1)c1cccc(/C=c2\[nH]c(=O)/c(=C/c3ccccn3)[nH]c2=O)c1.
What is the InChIKey of (3Z,6Z)-3-[(3-benzoylphenyl)methylidene]-6-(pyridin-2-ylmethylidene)piperazine-2,5-dione?
The InChIKey is CDRIOEPHHOSTPX-SIBCGJTDSA-N. The full InChI is InChI=1S/C24H17N3O3/c28-22(17-8-2-1-3-9-17)18-10-6-7-16(13-18)14-20-23(29)27-21(24(30)26-20)15-19-11-4-5-12-25-19/h1-15H,(H,26,30)(H,27,29)/b20-14-,21-15-.
What are the key properties of (3Z,6Z)-3-[(3-benzoylphenyl)methylidene]-6-(pyridin-2-ylmethylidene)piperazine-2,5-dione?
(3Z,6Z)-3-[(3-benzoylphenyl)methylidene]-6-(pyridin-2-ylmethylidene)piperazine-2,5-dione has a molecular weight of 395.42 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z)-3-[(3-benzoylphenyl)methylidene]-6-(pyridin-2-ylmethylidene)piperazine-2,5-dione is sourced from PubChem (CID 102222772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).