(4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl) acetate

C13H24N2O3 — CID 708862

IUPAC(4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl) acetate
SMILESCC(=O)NC1CC(C)(C)N(OC(C)=O)C(C)(C)C1
InChIInChI=1S/C13H24N2O3/c1-9(16)14-11-7-12(3,4)15(18-10(2)17)13(5,6)8-11/h11H,7-8H2,1-6H3,(H,14,16)
InChIKeySEUSKKWIKFGRDU-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.62
Rot. Bonds2

About (4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl) acetate

(4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl) acetate (PubChem CID 708862) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is (4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl) acetate.

Molecular Properties

Compound Name(4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl) acetate
PubChem CID708862
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name(4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl) acetate
SMILESCC(=O)NC1CC(C)(C)N(OC(C)=O)C(C)(C)C1
InChIInChI=1S/C13H24N2O3/c1-9(16)14-11-7-12(3,4)15(18-10(2)17)13(5,6)8-11/h11H,7-8H2,1-6H3,(H,14,16)
InChIKeySEUSKKWIKFGRDU-UHFFFAOYSA-N
XLogP1.62
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl) acetate?
The IUPAC name of (4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl) acetate (CID 708862) is (4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl) acetate.
What is the SMILES notation for (4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl) acetate?
The canonical SMILES for (4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl) acetate is CC(=O)NC1CC(C)(C)N(OC(C)=O)C(C)(C)C1.
What is the InChIKey of (4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl) acetate?
The InChIKey is SEUSKKWIKFGRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(16)14-11-7-12(3,4)15(18-10(2)17)13(5,6)8-11/h11H,7-8H2,1-6H3,(H,14,16).
What are the key properties of (4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl) acetate?
(4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl) acetate has a molecular weight of 256.35 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl) acetate is sourced from PubChem (CID 708862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).