(3Z,6Z)-3-benzylidene-6-[(4-ethoxyphenyl)methylidene]-1,4-dimethylpiperazine-2,5-dione

C22H22N2O3 — CID 67790217

IUPAC(3Z,6Z)-3-benzylidene-6-[(4-ethoxyphenyl)methylidene]-1,4-dimethylpiperazine-2,5-dione
SMILESCCOc1ccc(/C=c2/c(=O)n(C)/c(=C\c3ccccc3)c(=O)n2C)cc1
InChIInChI=1S/C22H22N2O3/c1-4-27-18-12-10-17(11-13-18)15-20-22(26)23(2)19(21(25)24(20)3)14-16-8-6-5-7-9-16/h5-15H,4H2,1-3H3/b19-14-,20-15-
InChIKeyISJQMSOJVJKDGI-SGAFJUGLSA-N
MW362.43 g/mol
LogP1.14
Rot. Bonds4

About (3Z,6Z)-3-benzylidene-6-[(4-ethoxyphenyl)methylidene]-1,4-dimethylpiperazine-2,5-dione

(3Z,6Z)-3-benzylidene-6-[(4-ethoxyphenyl)methylidene]-1,4-dimethylpiperazine-2,5-dione (PubChem CID 67790217) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is (3Z,6Z)-3-benzylidene-6-[(4-ethoxyphenyl)methylidene]-1,4-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3Z,6Z)-3-benzylidene-6-[(4-ethoxyphenyl)methylidene]-1,4-dimethylpiperazine-2,5-dione
PubChem CID67790217
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name(3Z,6Z)-3-benzylidene-6-[(4-ethoxyphenyl)methylidene]-1,4-dimethylpiperazine-2,5-dione
SMILESCCOc1ccc(/C=c2/c(=O)n(C)/c(=C\c3ccccc3)c(=O)n2C)cc1
InChIInChI=1S/C22H22N2O3/c1-4-27-18-12-10-17(11-13-18)15-20-22(26)23(2)19(21(25)24(20)3)14-16-8-6-5-7-9-16/h5-15H,4H2,1-3H3/b19-14-,20-15-
InChIKeyISJQMSOJVJKDGI-SGAFJUGLSA-N
XLogP1.14
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3Z,6Z)-3-benzylidene-6-[(4-ethoxyphenyl)methylidene]-1,4-dimethylpiperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
(2E)-1-(4-ethylpiperazinyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 5826833
(6E)-6-[(4-methoxyphenyl)methylidene]-1-methylpiperazine-2,5-dione
CID 5890427
Mycelianamide
CID 6436206
XR 1853
CID 6439506
3-(dimethylamino)-4-[(3-ethoxyphenyl)methyl]-5-ethyl-6-methyl-1H-pyridin-2-one
CID 486997
N-[2-(4-methoxyphenyl)-1-(4-morpholinylcarbonyl)vinyl]-3-phenylacrylamide
CID 1327321
(E)-1-(4-benzylpiperazino)-3-[4-(3-fluoropropoxy)phenyl]-2-propen-1-one
CID 5905781
(E)-N,N-diethyl-3-[4-(1-phenylethoxy)phenyl]but-2-enamide
CID 10735688
(3E,6E)-3-[(5-fluoro-2-methylphenyl)methylidene]-6-[(2-methoxyphenyl)methylidene]-1-prop-2-enylpiperazine-2,5-dione
CID 90681690

Frequently Asked Questions

What is the IUPAC name of (3Z,6Z)-3-benzylidene-6-[(4-ethoxyphenyl)methylidene]-1,4-dimethylpiperazine-2,5-dione?
The IUPAC name of (3Z,6Z)-3-benzylidene-6-[(4-ethoxyphenyl)methylidene]-1,4-dimethylpiperazine-2,5-dione (CID 67790217) is (3Z,6Z)-3-benzylidene-6-[(4-ethoxyphenyl)methylidene]-1,4-dimethylpiperazine-2,5-dione.
What is the SMILES notation for (3Z,6Z)-3-benzylidene-6-[(4-ethoxyphenyl)methylidene]-1,4-dimethylpiperazine-2,5-dione?
The canonical SMILES for (3Z,6Z)-3-benzylidene-6-[(4-ethoxyphenyl)methylidene]-1,4-dimethylpiperazine-2,5-dione is CCOc1ccc(/C=c2/c(=O)n(C)/c(=C\c3ccccc3)c(=O)n2C)cc1.
What is the InChIKey of (3Z,6Z)-3-benzylidene-6-[(4-ethoxyphenyl)methylidene]-1,4-dimethylpiperazine-2,5-dione?
The InChIKey is ISJQMSOJVJKDGI-SGAFJUGLSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-4-27-18-12-10-17(11-13-18)15-20-22(26)23(2)19(21(25)24(20)3)14-16-8-6-5-7-9-16/h5-15H,4H2,1-3H3/b19-14-,20-15-.
What are the key properties of (3Z,6Z)-3-benzylidene-6-[(4-ethoxyphenyl)methylidene]-1,4-dimethylpiperazine-2,5-dione?
(3Z,6Z)-3-benzylidene-6-[(4-ethoxyphenyl)methylidene]-1,4-dimethylpiperazine-2,5-dione has a molecular weight of 362.43 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z)-3-benzylidene-6-[(4-ethoxyphenyl)methylidene]-1,4-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 67790217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).