2,2-dimethyl-5-[(E)-3-piperidin-1-ylprop-2-enylidene]-1,3-dioxane-4,6-dione

C14H19NO4 — CID 20734636

IUPAC2,2-dimethyl-5-[(E)-3-piperidin-1-ylprop-2-enylidene]-1,3-dioxane-4,6-dione
SMILESCC1(C)OC(=O)C(=C/C=C/N2CCCCC2)C(=O)O1
InChIInChI=1S/C14H19NO4/c1-14(2)18-12(16)11(13(17)19-14)7-6-10-15-8-4-3-5-9-15/h6-7,10H,3-5,8-9H2,1-2H3/b10-6+
InChIKeyUFJCXHSZLBCEFB-UXBLZVDNSA-N
MW265.31 g/mol
LogP1.75
Rot. Bonds2

About 2,2-dimethyl-5-[(E)-3-piperidin-1-ylprop-2-enylidene]-1,3-dioxane-4,6-dione

2,2-dimethyl-5-[(E)-3-piperidin-1-ylprop-2-enylidene]-1,3-dioxane-4,6-dione (PubChem CID 20734636) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2,2-dimethyl-5-[(E)-3-piperidin-1-ylprop-2-enylidene]-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name2,2-dimethyl-5-[(E)-3-piperidin-1-ylprop-2-enylidene]-1,3-dioxane-4,6-dione
PubChem CID20734636
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2,2-dimethyl-5-[(E)-3-piperidin-1-ylprop-2-enylidene]-1,3-dioxane-4,6-dione
SMILESCC1(C)OC(=O)C(=C/C=C/N2CCCCC2)C(=O)O1
InChIInChI=1S/C14H19NO4/c1-14(2)18-12(16)11(13(17)19-14)7-6-10-15-8-4-3-5-9-15/h6-7,10H,3-5,8-9H2,1-2H3/b10-6+
InChIKeyUFJCXHSZLBCEFB-UXBLZVDNSA-N
XLogP1.75
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 2,2-dimethyl-5-[(E)-3-piperidin-1-ylprop-2-enylidene]-1,3-dioxane-4,6-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[(E)-3-piperidin-1-ylprop-2-enylidene]-1,3-dioxane-4,6-dione?
The IUPAC name of 2,2-dimethyl-5-[(E)-3-piperidin-1-ylprop-2-enylidene]-1,3-dioxane-4,6-dione (CID 20734636) is 2,2-dimethyl-5-[(E)-3-piperidin-1-ylprop-2-enylidene]-1,3-dioxane-4,6-dione.
What is the SMILES notation for 2,2-dimethyl-5-[(E)-3-piperidin-1-ylprop-2-enylidene]-1,3-dioxane-4,6-dione?
The canonical SMILES for 2,2-dimethyl-5-[(E)-3-piperidin-1-ylprop-2-enylidene]-1,3-dioxane-4,6-dione is CC1(C)OC(=O)C(=C/C=C/N2CCCCC2)C(=O)O1.
What is the InChIKey of 2,2-dimethyl-5-[(E)-3-piperidin-1-ylprop-2-enylidene]-1,3-dioxane-4,6-dione?
The InChIKey is UFJCXHSZLBCEFB-UXBLZVDNSA-N. The full InChI is InChI=1S/C14H19NO4/c1-14(2)18-12(16)11(13(17)19-14)7-6-10-15-8-4-3-5-9-15/h6-7,10H,3-5,8-9H2,1-2H3/b10-6+.
What are the key properties of 2,2-dimethyl-5-[(E)-3-piperidin-1-ylprop-2-enylidene]-1,3-dioxane-4,6-dione?
2,2-dimethyl-5-[(E)-3-piperidin-1-ylprop-2-enylidene]-1,3-dioxane-4,6-dione has a molecular weight of 265.31 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[(E)-3-piperidin-1-ylprop-2-enylidene]-1,3-dioxane-4,6-dione is sourced from PubChem (CID 20734636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).