1,4-dimethylpiperazine;(2E,5Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidenehepta-3,5-dienamide;tungsten

C20H31N4O3W- — CID 156866610

IUPAC1,4-dimethylpiperazine;(2E,5Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidenehepta-3,5-dienamide;tungsten
SMILESC/C=C\C=[C-]\C(=C/C)C(=O)NC1CCC(=O)NC1=O.CN1CCN(C)CC1.[W]
InChIInChI=1S/C14H17N2O3.C6H14N2.W/c1-3-5-6-7-10(4-2)13(18)15-11-8-9-12(17)16-14(11)19;1-7-3-5-8(2)6-4-7;/h3-6,11H,8-9H2,1-2H3,(H,15,18)(H,16,17,19);3-6H2,1-2H3;/q-1;;/b5-3-,10-4+;;
InChIKeyFBZUUVRQLSPMRX-QHRWHYLHSA-N
MW559.33 g/mol
LogP0.65
Rot. Bonds4

About 1,4-dimethylpiperazine;(2E,5Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidenehepta-3,5-dienamide;tungsten

1,4-dimethylpiperazine;(2E,5Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidenehepta-3,5-dienamide;tungsten (PubChem CID 156866610) has the molecular formula C20H31N4O3W- and a molecular weight of 559.33 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;(2E,5Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidenehepta-3,5-dienamide;tungsten.

Molecular Properties

Compound Name1,4-dimethylpiperazine;(2E,5Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidenehepta-3,5-dienamide;tungsten
PubChem CID156866610
Molecular FormulaC20H31N4O3W-
Molecular Weight559.33 g/mol
Exact Mass559.19
IUPAC Name1,4-dimethylpiperazine;(2E,5Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidenehepta-3,5-dienamide;tungsten
SMILESC/C=C\C=[C-]\C(=C/C)C(=O)NC1CCC(=O)NC1=O.CN1CCN(C)CC1.[W]
InChIInChI=1S/C14H17N2O3.C6H14N2.W/c1-3-5-6-7-10(4-2)13(18)15-11-8-9-12(17)16-14(11)19;1-7-3-5-8(2)6-4-7;/h3-6,11H,8-9H2,1-2H3,(H,15,18)(H,16,17,19);3-6H2,1-2H3;/q-1;;/b5-3-,10-4+;;
InChIKeyFBZUUVRQLSPMRX-QHRWHYLHSA-N
XLogP0.65
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.33
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidenepent-3-enamide;ethane;tungsten
CID 156866667
(2E,4Z)-N-(2,6-dioxopiperidin-3-yl)-2,3-dimethylhexa-2,4-dienamide;ethane;formaldehyde;propane
CID 170590516
(2Z,4Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyl-3-nitrosohexa-2,4-dienamide;methane
CID 172587311
(2E)-N-(2,6-dioxopiperidin-3-yl)-2-ethenylpenta-2,4-dienamide;ethane
CID 176695806
N-(2,6-dioxopiperidin-3-yl)-2-sulfanylpropanamide
CID 107031614
(3Z,5E)-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-2-methylidenehepta-3,5-dienamide;ethane;molecular hydrogen
CID 153385187
N-(2,6-dioxopiperidin-3-yl)but-3-enamide
CID 65439330
(Z,3Z)-N-(2,6-dioxopiperidin-3-yl)-3-ethylidenehept-4-enamide
CID 177240315
3-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]amino]piperidine-2,6-dione
CID 166117554
N-(2,6-dioxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide
CID 79280076
N-(2,6-dioxopiperidin-3-yl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103822664
ethane;S-ethyl N-(2,6-dioxopiperidin-3-yl)carbamothioate
CID 166478743

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine;(2E,5Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidenehepta-3,5-dienamide;tungsten?
The IUPAC name of 1,4-dimethylpiperazine;(2E,5Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidenehepta-3,5-dienamide;tungsten (CID 156866610) is 1,4-dimethylpiperazine;(2E,5Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidenehepta-3,5-dienamide;tungsten.
What is the SMILES notation for 1,4-dimethylpiperazine;(2E,5Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidenehepta-3,5-dienamide;tungsten?
The canonical SMILES for 1,4-dimethylpiperazine;(2E,5Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidenehepta-3,5-dienamide;tungsten is C/C=C\C=[C-]\C(=C/C)C(=O)NC1CCC(=O)NC1=O.CN1CCN(C)CC1.[W].
What is the InChIKey of 1,4-dimethylpiperazine;(2E,5Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidenehepta-3,5-dienamide;tungsten?
The InChIKey is FBZUUVRQLSPMRX-QHRWHYLHSA-N. The full InChI is InChI=1S/C14H17N2O3.C6H14N2.W/c1-3-5-6-7-10(4-2)13(18)15-11-8-9-12(17)16-14(11)19;1-7-3-5-8(2)6-4-7;/h3-6,11H,8-9H2,1-2H3,(H,15,18)(H,16,17,19);3-6H2,1-2H3;/q-1;;/b5-3-,10-4+;;.
What are the key properties of 1,4-dimethylpiperazine;(2E,5Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidenehepta-3,5-dienamide;tungsten?
1,4-dimethylpiperazine;(2E,5Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidenehepta-3,5-dienamide;tungsten has a molecular weight of 559.33 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperazine;(2E,5Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidenehepta-3,5-dienamide;tungsten is sourced from PubChem (CID 156866610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).