2-(2,2,6,6-tetramethyl-3-oxo-4-prop-2-enoylpiperidin-1-yl)ethyl prop-2-enoate

C17H25NO4 — CID 54495482

IUPAC2-(2,2,6,6-tetramethyl-3-oxo-4-prop-2-enoylpiperidin-1-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCN1C(C)(C)CC(C(=O)C=C)C(=O)C1(C)C
InChIInChI=1S/C17H25NO4/c1-7-13(19)12-11-16(3,4)18(17(5,6)15(12)21)9-10-22-14(20)8-2/h7-8,12H,1-2,9-11H2,3-6H3
InChIKeyXYTYHQOYTHDKFA-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.92
Rot. Bonds6

About 2-(2,2,6,6-tetramethyl-3-oxo-4-prop-2-enoylpiperidin-1-yl)ethyl prop-2-enoate

2-(2,2,6,6-tetramethyl-3-oxo-4-prop-2-enoylpiperidin-1-yl)ethyl prop-2-enoate (PubChem CID 54495482) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-(2,2,6,6-tetramethyl-3-oxo-4-prop-2-enoylpiperidin-1-yl)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(2,2,6,6-tetramethyl-3-oxo-4-prop-2-enoylpiperidin-1-yl)ethyl prop-2-enoate
PubChem CID54495482
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name2-(2,2,6,6-tetramethyl-3-oxo-4-prop-2-enoylpiperidin-1-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCN1C(C)(C)CC(C(=O)C=C)C(=O)C1(C)C
InChIInChI=1S/C17H25NO4/c1-7-13(19)12-11-16(3,4)18(17(5,6)15(12)21)9-10-22-14(20)8-2/h7-8,12H,1-2,9-11H2,3-6H3
InChIKeyXYTYHQOYTHDKFA-UHFFFAOYSA-N
XLogP1.92
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,6,6-tetramethyl-3-oxo-4-prop-2-enoylpiperidin-1-yl)ethyl prop-2-enoate?
The IUPAC name of 2-(2,2,6,6-tetramethyl-3-oxo-4-prop-2-enoylpiperidin-1-yl)ethyl prop-2-enoate (CID 54495482) is 2-(2,2,6,6-tetramethyl-3-oxo-4-prop-2-enoylpiperidin-1-yl)ethyl prop-2-enoate.
What is the SMILES notation for 2-(2,2,6,6-tetramethyl-3-oxo-4-prop-2-enoylpiperidin-1-yl)ethyl prop-2-enoate?
The canonical SMILES for 2-(2,2,6,6-tetramethyl-3-oxo-4-prop-2-enoylpiperidin-1-yl)ethyl prop-2-enoate is C=CC(=O)OCCN1C(C)(C)CC(C(=O)C=C)C(=O)C1(C)C.
What is the InChIKey of 2-(2,2,6,6-tetramethyl-3-oxo-4-prop-2-enoylpiperidin-1-yl)ethyl prop-2-enoate?
The InChIKey is XYTYHQOYTHDKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-7-13(19)12-11-16(3,4)18(17(5,6)15(12)21)9-10-22-14(20)8-2/h7-8,12H,1-2,9-11H2,3-6H3.
What are the key properties of 2-(2,2,6,6-tetramethyl-3-oxo-4-prop-2-enoylpiperidin-1-yl)ethyl prop-2-enoate?
2-(2,2,6,6-tetramethyl-3-oxo-4-prop-2-enoylpiperidin-1-yl)ethyl prop-2-enoate has a molecular weight of 307.39 g/mol, XLogP of 1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,6,6-tetramethyl-3-oxo-4-prop-2-enoylpiperidin-1-yl)ethyl prop-2-enoate is sourced from PubChem (CID 54495482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).