(3E,6Z)-3-benzylidene-6-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]piperazine-2,5-dione

C22H23N3O3 — CID 6439506

IUPAC(3E,6Z)-3-benzylidene-6-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]piperazine-2,5-dione
SMILESCN(C)CCOc1ccc(/C=c2\[nH]c(=O)/c(=C\c3ccccc3)[nH]c2=O)cc1
InChIInChI=1S/C22H23N3O3/c1-25(2)12-13-28-18-10-8-17(9-11-18)15-20-22(27)23-19(21(26)24-20)14-16-6-4-3-5-7-16/h3-11,14-15H,12-13H2,1-2H3,(H,23,27)(H,24,26)/b19-14+,20-15-
InChIKeySKAOOZAHHYQXKN-WOBBTWAASA-N
MW377.44 g/mol
LogP0.66
Rot. Bonds6

About (3E,6Z)-3-benzylidene-6-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]piperazine-2,5-dione

(3E,6Z)-3-benzylidene-6-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]piperazine-2,5-dione (PubChem CID 6439506) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is (3E,6Z)-3-benzylidene-6-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]piperazine-2,5-dione.

Molecular Properties

Compound Name(3E,6Z)-3-benzylidene-6-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]piperazine-2,5-dione
PubChem CID6439506
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name(3E,6Z)-3-benzylidene-6-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]piperazine-2,5-dione
SMILESCN(C)CCOc1ccc(/C=c2\[nH]c(=O)/c(=C\c3ccccc3)[nH]c2=O)cc1
InChIInChI=1S/C22H23N3O3/c1-25(2)12-13-28-18-10-8-17(9-11-18)15-20-22(27)23-19(21(26)24-20)14-16-6-4-3-5-7-16/h3-11,14-15H,12-13H2,1-2H3,(H,23,27)(H,24,26)/b19-14+,20-15-
InChIKeySKAOOZAHHYQXKN-WOBBTWAASA-N
XLogP0.66
TPSA78.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-Methoxyphenyl)methylene]tetrahydro-2,5-pyrazinedione
CID 6374432
Nocazine C
CID 56600878
(E)-1-morpholin-4-yl-3-(4-propoxyphenyl)prop-2-en-1-one
CID 1569010
(6E)-6-[(4-methoxyphenyl)methylidene]-1-methylpiperazine-2,5-dione
CID 5890427
Mycelianamide
CID 6436206
3-(dimethylamino)-4-[(3-ethoxyphenyl)methyl]-5-ethyl-6-methyl-1H-pyridin-2-one
CID 486997
2-p-Tolyloxy-N-{2-[4-(2-p-tolyloxy-acetyl)-piperazin-1-yl]-ethyl}-acetamide
CID 650311
N-[2-(4-methoxyphenyl)-1-(4-morpholinylcarbonyl)vinyl]-3-phenylacrylamide
CID 1327321
N-[2-(4-methylphenoxy)ethyl]-3-phenylacrylamide
CID 2297008
4-butoxy-N-[1-(4-morpholinylcarbonyl)-4-phenyl-1,3-butadien-1-yl]benzamide
CID 5731806
(3E,6E)-3-[(5-fluoro-2-methylphenyl)methylidene]-6-[(2-methoxyphenyl)methylidene]-1-prop-2-enylpiperazine-2,5-dione
CID 90681690
(3Z,6Z)-3-hexylidene-6-[(4-methoxyphenyl)methylidene]-1-prop-2-enylpiperazine-2,5-dione
CID 162665437

Frequently Asked Questions

What is the IUPAC name of (3E,6Z)-3-benzylidene-6-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]piperazine-2,5-dione?
The IUPAC name of (3E,6Z)-3-benzylidene-6-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]piperazine-2,5-dione (CID 6439506) is (3E,6Z)-3-benzylidene-6-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]piperazine-2,5-dione.
What is the SMILES notation for (3E,6Z)-3-benzylidene-6-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]piperazine-2,5-dione?
The canonical SMILES for (3E,6Z)-3-benzylidene-6-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]piperazine-2,5-dione is CN(C)CCOc1ccc(/C=c2\[nH]c(=O)/c(=C\c3ccccc3)[nH]c2=O)cc1.
What is the InChIKey of (3E,6Z)-3-benzylidene-6-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]piperazine-2,5-dione?
The InChIKey is SKAOOZAHHYQXKN-WOBBTWAASA-N. The full InChI is InChI=1S/C22H23N3O3/c1-25(2)12-13-28-18-10-8-17(9-11-18)15-20-22(27)23-19(21(26)24-20)14-16-6-4-3-5-7-16/h3-11,14-15H,12-13H2,1-2H3,(H,23,27)(H,24,26)/b19-14+,20-15-.
What are the key properties of (3E,6Z)-3-benzylidene-6-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]piperazine-2,5-dione?
(3E,6Z)-3-benzylidene-6-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]piperazine-2,5-dione has a molecular weight of 377.44 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6Z)-3-benzylidene-6-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]piperazine-2,5-dione is sourced from PubChem (CID 6439506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).