methyl 2-(4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-phenylacetate

C20H30N2O4 — CID 68613771

IUPACmethyl 2-(4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-phenylacetate
SMILESCOC(=O)C(ON1C(C)(C)CC(NC(C)=O)CC1(C)C)c1ccccc1
InChIInChI=1S/C20H30N2O4/c1-14(23)21-16-12-19(2,3)22(20(4,5)13-16)26-17(18(24)25-6)15-10-8-7-9-11-15/h7-11,16-17H,12-13H2,1-6H3,(H,21,23)
InChIKeyJBJIUDZMNNBHJD-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.99
Rot. Bonds5

About methyl 2-(4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-phenylacetate

methyl 2-(4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-phenylacetate (PubChem CID 68613771) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is methyl 2-(4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-(4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-phenylacetate
PubChem CID68613771
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Namemethyl 2-(4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-phenylacetate
SMILESCOC(=O)C(ON1C(C)(C)CC(NC(C)=O)CC1(C)C)c1ccccc1
InChIInChI=1S/C20H30N2O4/c1-14(23)21-16-12-19(2,3)22(20(4,5)13-16)26-17(18(24)25-6)15-10-8-7-9-11-15/h7-11,16-17H,12-13H2,1-6H3,(H,21,23)
InChIKeyJBJIUDZMNNBHJD-UHFFFAOYSA-N
XLogP2.99
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-phenylacetate?
The IUPAC name of methyl 2-(4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-phenylacetate (CID 68613771) is methyl 2-(4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-phenylacetate.
What is the SMILES notation for methyl 2-(4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-phenylacetate?
The canonical SMILES for methyl 2-(4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-phenylacetate is COC(=O)C(ON1C(C)(C)CC(NC(C)=O)CC1(C)C)c1ccccc1.
What is the InChIKey of methyl 2-(4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-phenylacetate?
The InChIKey is JBJIUDZMNNBHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-14(23)21-16-12-19(2,3)22(20(4,5)13-16)26-17(18(24)25-6)15-10-8-7-9-11-15/h7-11,16-17H,12-13H2,1-6H3,(H,21,23).
What are the key properties of methyl 2-(4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-phenylacetate?
methyl 2-(4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-phenylacetate has a molecular weight of 362.47 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-phenylacetate is sourced from PubChem (CID 68613771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).