(3Z,6S)-1,6-dimethyl-3-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-2,5-dione

C17H22N2O5 — CID 10854159

IUPAC(3Z,6S)-1,6-dimethyl-3-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-2,5-dione
SMILESCOc1cc(/C=C2\NC(=O)[C@H](C)N(C)C2=O)c(OC)c(C)c1OC
InChIInChI=1S/C17H22N2O5/c1-9-14(23-5)11(8-13(22-4)15(9)24-6)7-12-17(21)19(3)10(2)16(20)18-12/h7-8,10H,1-6H3,(H,18,20)/b12-7-/t10-/m0/s1
InChIKeyVIIZHXARTFTHAO-BZPKPHBRSA-N
MW334.37 g/mol
LogP1.34
Rot. Bonds4

About (3Z,6S)-1,6-dimethyl-3-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-2,5-dione

(3Z,6S)-1,6-dimethyl-3-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-2,5-dione (PubChem CID 10854159) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is (3Z,6S)-1,6-dimethyl-3-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-2,5-dione.

Molecular Properties

Compound Name(3Z,6S)-1,6-dimethyl-3-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-2,5-dione
PubChem CID10854159
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name(3Z,6S)-1,6-dimethyl-3-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-2,5-dione
SMILESCOc1cc(/C=C2\NC(=O)[C@H](C)N(C)C2=O)c(OC)c(C)c1OC
InChIInChI=1S/C17H22N2O5/c1-9-14(23-5)11(8-13(22-4)15(9)24-6)7-12-17(21)19(3)10(2)16(20)18-12/h7-8,10H,1-6H3,(H,18,20)/b12-7-/t10-/m0/s1
InChIKeyVIIZHXARTFTHAO-BZPKPHBRSA-N
XLogP1.34
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3Z,6S)-1,6-dimethyl-3-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-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

ethyl (3Z,6S,11aS)-7,8,10-trimethoxy-9-methyl-1,4-dioxo-3-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]-11,11a-dihydro-6H-pyrazino[1,2-b]isoquinoline-6-carboxylate
CID 53247912
3,4,6-trimethoxy-5,13-dimethyl-12-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-10-thione
CID 3824973
propan-2-yl (2S,5Z)-3-oxo-2-[(2,4,5-trimethoxy-3-methylphenyl)methyl]-5-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-1-carboxylate
CID 102575849
5-[(2-chloro-4,5-dimethoxyphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
CID 839833
5-[(2,4-dimethoxy-3-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 2912531
5-[(2,4-dimethoxy-3-methylphenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 2938431
(5Z)-5-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-propyl-2-sulfanylideneimidazolidin-4-one
CID 6165176
5-[(3,5-dichloro-2-methoxyphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
CID 884257
(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,3-dimethylimidazolidin-4-one
CID 138720142
(5E)-5-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126241397
(5E)-5-[(5-bromo-2,3-dimethoxyphenyl)methylidene]-1-(3-chloro-2-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 126247656
(5Z)-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
CID 2202142

Frequently Asked Questions

What is the IUPAC name of (3Z,6S)-1,6-dimethyl-3-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-2,5-dione?
The IUPAC name of (3Z,6S)-1,6-dimethyl-3-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-2,5-dione (CID 10854159) is (3Z,6S)-1,6-dimethyl-3-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-2,5-dione.
What is the SMILES notation for (3Z,6S)-1,6-dimethyl-3-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-2,5-dione?
The canonical SMILES for (3Z,6S)-1,6-dimethyl-3-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-2,5-dione is COc1cc(/C=C2\NC(=O)[C@H](C)N(C)C2=O)c(OC)c(C)c1OC.
What is the InChIKey of (3Z,6S)-1,6-dimethyl-3-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-2,5-dione?
The InChIKey is VIIZHXARTFTHAO-BZPKPHBRSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-9-14(23-5)11(8-13(22-4)15(9)24-6)7-12-17(21)19(3)10(2)16(20)18-12/h7-8,10H,1-6H3,(H,18,20)/b12-7-/t10-/m0/s1.
What are the key properties of (3Z,6S)-1,6-dimethyl-3-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-2,5-dione?
(3Z,6S)-1,6-dimethyl-3-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-2,5-dione has a molecular weight of 334.37 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6S)-1,6-dimethyl-3-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-2,5-dione is sourced from PubChem (CID 10854159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).