2-(4-ethoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 5-methoxy-5-methyl-4-oxohexanoate

C21H39NO5 — CID 145108233

IUPAC2-(4-ethoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 5-methoxy-5-methyl-4-oxohexanoate
SMILESCCOC1CC(C)(C)N(CCOC(=O)CCC(=O)C(C)(C)OC)C(C)(C)C1
InChIInChI=1S/C21H39NO5/c1-9-26-16-14-19(2,3)22(20(4,5)15-16)12-13-27-18(24)11-10-17(23)21(6,7)25-8/h16H,9-15H2,1-8H3
InChIKeyBBOJNFGWCXNODO-UHFFFAOYSA-N
MW385.55 g/mol
LogP3.36
Rot. Bonds10

About 2-(4-ethoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 5-methoxy-5-methyl-4-oxohexanoate

2-(4-ethoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 5-methoxy-5-methyl-4-oxohexanoate (PubChem CID 145108233) has the molecular formula C21H39NO5 and a molecular weight of 385.55 g/mol. Its IUPAC name is 2-(4-ethoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 5-methoxy-5-methyl-4-oxohexanoate.

Molecular Properties

Compound Name2-(4-ethoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 5-methoxy-5-methyl-4-oxohexanoate
PubChem CID145108233
Molecular FormulaC21H39NO5
Molecular Weight385.55 g/mol
Exact Mass385.28
IUPAC Name2-(4-ethoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 5-methoxy-5-methyl-4-oxohexanoate
SMILESCCOC1CC(C)(C)N(CCOC(=O)CCC(=O)C(C)(C)OC)C(C)(C)C1
InChIInChI=1S/C21H39NO5/c1-9-26-16-14-19(2,3)22(20(4,5)15-16)12-13-27-18(24)11-10-17(23)21(6,7)25-8/h16H,9-15H2,1-8H3
InChIKeyBBOJNFGWCXNODO-UHFFFAOYSA-N
XLogP3.36
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-ethoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 5-methoxy-5-methyl-4-oxohexanoate 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 2-(4-ethoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 5-methoxy-5-methyl-4-oxohexanoate?
The IUPAC name of 2-(4-ethoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 5-methoxy-5-methyl-4-oxohexanoate (CID 145108233) is 2-(4-ethoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 5-methoxy-5-methyl-4-oxohexanoate.
What is the SMILES notation for 2-(4-ethoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 5-methoxy-5-methyl-4-oxohexanoate?
The canonical SMILES for 2-(4-ethoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 5-methoxy-5-methyl-4-oxohexanoate is CCOC1CC(C)(C)N(CCOC(=O)CCC(=O)C(C)(C)OC)C(C)(C)C1.
What is the InChIKey of 2-(4-ethoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 5-methoxy-5-methyl-4-oxohexanoate?
The InChIKey is BBOJNFGWCXNODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39NO5/c1-9-26-16-14-19(2,3)22(20(4,5)15-16)12-13-27-18(24)11-10-17(23)21(6,7)25-8/h16H,9-15H2,1-8H3.
What are the key properties of 2-(4-ethoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 5-methoxy-5-methyl-4-oxohexanoate?
2-(4-ethoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 5-methoxy-5-methyl-4-oxohexanoate has a molecular weight of 385.55 g/mol, XLogP of 3.36, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 5-methoxy-5-methyl-4-oxohexanoate is sourced from PubChem (CID 145108233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).