methyl 1-acetyloxy-2,2,6,6-tetramethylpiperidine-4-carboxylate

C13H23NO4 — CID 3515264

IUPACmethyl 1-acetyloxy-2,2,6,6-tetramethylpiperidine-4-carboxylate
SMILESCOC(=O)C1CC(C)(C)N(OC(C)=O)C(C)(C)C1
InChIInChI=1S/C13H23NO4/c1-9(15)18-14-12(2,3)7-10(11(16)17-6)8-13(14,4)5/h10H,7-8H2,1-6H3
InChIKeyCEOYQDAGXCYAQM-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.91
Rot. Bonds2

About methyl 1-acetyloxy-2,2,6,6-tetramethylpiperidine-4-carboxylate

methyl 1-acetyloxy-2,2,6,6-tetramethylpiperidine-4-carboxylate (PubChem CID 3515264) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is methyl 1-acetyloxy-2,2,6,6-tetramethylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-acetyloxy-2,2,6,6-tetramethylpiperidine-4-carboxylate
PubChem CID3515264
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Namemethyl 1-acetyloxy-2,2,6,6-tetramethylpiperidine-4-carboxylate
SMILESCOC(=O)C1CC(C)(C)N(OC(C)=O)C(C)(C)C1
InChIInChI=1S/C13H23NO4/c1-9(15)18-14-12(2,3)7-10(11(16)17-6)8-13(14,4)5/h10H,7-8H2,1-6H3
InChIKeyCEOYQDAGXCYAQM-UHFFFAOYSA-N
XLogP1.91
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-acetyloxy-2,2,6,6-tetramethylpiperidine-4-carboxylate 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 methyl 1-acetyloxy-2,2,6,6-tetramethylpiperidine-4-carboxylate?
The IUPAC name of methyl 1-acetyloxy-2,2,6,6-tetramethylpiperidine-4-carboxylate (CID 3515264) is methyl 1-acetyloxy-2,2,6,6-tetramethylpiperidine-4-carboxylate.
What is the SMILES notation for methyl 1-acetyloxy-2,2,6,6-tetramethylpiperidine-4-carboxylate?
The canonical SMILES for methyl 1-acetyloxy-2,2,6,6-tetramethylpiperidine-4-carboxylate is COC(=O)C1CC(C)(C)N(OC(C)=O)C(C)(C)C1.
What is the InChIKey of methyl 1-acetyloxy-2,2,6,6-tetramethylpiperidine-4-carboxylate?
The InChIKey is CEOYQDAGXCYAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-9(15)18-14-12(2,3)7-10(11(16)17-6)8-13(14,4)5/h10H,7-8H2,1-6H3.
What are the key properties of methyl 1-acetyloxy-2,2,6,6-tetramethylpiperidine-4-carboxylate?
methyl 1-acetyloxy-2,2,6,6-tetramethylpiperidine-4-carboxylate has a molecular weight of 257.33 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-acetyloxy-2,2,6,6-tetramethylpiperidine-4-carboxylate is sourced from PubChem (CID 3515264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).