(4Z)-1-(2,6-dioxopiperidin-3-yl)-4-[(ethylideneamino)methylidene]-3-methyliminopiperidine-2,6-dione

C14H16N4O4 — CID 155331355

IUPAC(4Z)-1-(2,6-dioxopiperidin-3-yl)-4-[(ethylideneamino)methylidene]-3-methyliminopiperidine-2,6-dione
SMILESC/C=N/C=C1/CC(=O)N(C2CCC(=O)NC2=O)C(=O)/C1=N\C
InChIInChI=1S/C14H16N4O4/c1-3-16-7-8-6-11(20)18(14(22)12(8)15-2)9-4-5-10(19)17-13(9)21/h3,7,9H,4-6H2,1-2H3,(H,17,19,21)/b8-7-,15-12-,16-3+
InChIKeyDIWSPJYZWVDKQE-JGVUQVOWSA-N
MW304.31 g/mol
LogP-0.40
Rot. Bonds2

About (4Z)-1-(2,6-dioxopiperidin-3-yl)-4-[(ethylideneamino)methylidene]-3-methyliminopiperidine-2,6-dione

(4Z)-1-(2,6-dioxopiperidin-3-yl)-4-[(ethylideneamino)methylidene]-3-methyliminopiperidine-2,6-dione (PubChem CID 155331355) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is (4Z)-1-(2,6-dioxopiperidin-3-yl)-4-[(ethylideneamino)methylidene]-3-methyliminopiperidine-2,6-dione.

Molecular Properties

Compound Name(4Z)-1-(2,6-dioxopiperidin-3-yl)-4-[(ethylideneamino)methylidene]-3-methyliminopiperidine-2,6-dione
PubChem CID155331355
Molecular FormulaC14H16N4O4
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC Name(4Z)-1-(2,6-dioxopiperidin-3-yl)-4-[(ethylideneamino)methylidene]-3-methyliminopiperidine-2,6-dione
SMILESC/C=N/C=C1/CC(=O)N(C2CCC(=O)NC2=O)C(=O)/C1=N\C
InChIInChI=1S/C14H16N4O4/c1-3-16-7-8-6-11(20)18(14(22)12(8)15-2)9-4-5-10(19)17-13(9)21/h3,7,9H,4-6H2,1-2H3,(H,17,19,21)/b8-7-,15-12-,16-3+
InChIKeyDIWSPJYZWVDKQE-JGVUQVOWSA-N
XLogP-0.40
TPSA108.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-1-(2,6-dioxopiperidin-3-yl)-4-[(ethylideneamino)methylidene]-3-methyliminopiperidine-2,6-dione?
The IUPAC name of (4Z)-1-(2,6-dioxopiperidin-3-yl)-4-[(ethylideneamino)methylidene]-3-methyliminopiperidine-2,6-dione (CID 155331355) is (4Z)-1-(2,6-dioxopiperidin-3-yl)-4-[(ethylideneamino)methylidene]-3-methyliminopiperidine-2,6-dione.
What is the SMILES notation for (4Z)-1-(2,6-dioxopiperidin-3-yl)-4-[(ethylideneamino)methylidene]-3-methyliminopiperidine-2,6-dione?
The canonical SMILES for (4Z)-1-(2,6-dioxopiperidin-3-yl)-4-[(ethylideneamino)methylidene]-3-methyliminopiperidine-2,6-dione is C/C=N/C=C1/CC(=O)N(C2CCC(=O)NC2=O)C(=O)/C1=N\C.
What is the InChIKey of (4Z)-1-(2,6-dioxopiperidin-3-yl)-4-[(ethylideneamino)methylidene]-3-methyliminopiperidine-2,6-dione?
The InChIKey is DIWSPJYZWVDKQE-JGVUQVOWSA-N. The full InChI is InChI=1S/C14H16N4O4/c1-3-16-7-8-6-11(20)18(14(22)12(8)15-2)9-4-5-10(19)17-13(9)21/h3,7,9H,4-6H2,1-2H3,(H,17,19,21)/b8-7-,15-12-,16-3+.
What are the key properties of (4Z)-1-(2,6-dioxopiperidin-3-yl)-4-[(ethylideneamino)methylidene]-3-methyliminopiperidine-2,6-dione?
(4Z)-1-(2,6-dioxopiperidin-3-yl)-4-[(ethylideneamino)methylidene]-3-methyliminopiperidine-2,6-dione has a molecular weight of 304.31 g/mol, XLogP of -0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-1-(2,6-dioxopiperidin-3-yl)-4-[(ethylideneamino)methylidene]-3-methyliminopiperidine-2,6-dione is sourced from PubChem (CID 155331355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).