(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) acetate

C11H19NO3 — CID 3497281

IUPAC(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) acetate
SMILESCC(=O)ON1C(C)(C)CC(=O)CC1(C)C
InChIInChI=1S/C11H19NO3/c1-8(13)15-12-10(2,3)6-9(14)7-11(12,4)5/h6-7H2,1-5H3
InChIKeyXEDCSOVFHJWCRP-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.69
Rot. Bonds1

About (2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) acetate

(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) acetate (PubChem CID 3497281) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) acetate.

Molecular Properties

Compound Name(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) acetate
PubChem CID3497281
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) acetate
SMILESCC(=O)ON1C(C)(C)CC(=O)CC1(C)C
InChIInChI=1S/C11H19NO3/c1-8(13)15-12-10(2,3)6-9(14)7-11(12,4)5/h6-7H2,1-5H3
InChIKeyXEDCSOVFHJWCRP-UHFFFAOYSA-N
XLogP1.69
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) acetate?
The IUPAC name of (2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) acetate (CID 3497281) is (2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) acetate.
What is the SMILES notation for (2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) acetate?
The canonical SMILES for (2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) acetate is CC(=O)ON1C(C)(C)CC(=O)CC1(C)C.
What is the InChIKey of (2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) acetate?
The InChIKey is XEDCSOVFHJWCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(13)15-12-10(2,3)6-9(14)7-11(12,4)5/h6-7H2,1-5H3.
What are the key properties of (2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) acetate?
(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) acetate has a molecular weight of 213.28 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) acetate is sourced from PubChem (CID 3497281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).