4-O-[2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate

C17H31NO5 — CID 20731274

IUPAC4-O-[2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate
SMILESCOC(=O)CCC(=O)OCCN1C(C)(C)CC(OC)CC1(C)C
InChIInChI=1S/C17H31NO5/c1-16(2)11-13(21-5)12-17(3,4)18(16)9-10-23-15(20)8-7-14(19)22-6/h13H,7-12H2,1-6H3
InChIKeyFXKCLIJGDDKAJV-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.15
Rot. Bonds7

About 4-O-[2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate

4-O-[2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate (PubChem CID 20731274) has the molecular formula C17H31NO5 and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-O-[2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate.

Molecular Properties

Compound Name4-O-[2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate
PubChem CID20731274
Molecular FormulaC17H31NO5
Molecular Weight329.44 g/mol
Exact Mass329.22
IUPAC Name4-O-[2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate
SMILESCOC(=O)CCC(=O)OCCN1C(C)(C)CC(OC)CC1(C)C
InChIInChI=1S/C17H31NO5/c1-16(2)11-13(21-5)12-17(3,4)18(16)9-10-23-15(20)8-7-14(19)22-6/h13H,7-12H2,1-6H3
InChIKeyFXKCLIJGDDKAJV-UHFFFAOYSA-N
XLogP2.15
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-O-[2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate 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 4-O-[2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate?
The IUPAC name of 4-O-[2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate (CID 20731274) is 4-O-[2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate.
What is the SMILES notation for 4-O-[2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate?
The canonical SMILES for 4-O-[2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate is COC(=O)CCC(=O)OCCN1C(C)(C)CC(OC)CC1(C)C.
What is the InChIKey of 4-O-[2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate?
The InChIKey is FXKCLIJGDDKAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO5/c1-16(2)11-13(21-5)12-17(3,4)18(16)9-10-23-15(20)8-7-14(19)22-6/h13H,7-12H2,1-6H3.
What are the key properties of 4-O-[2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate?
4-O-[2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate has a molecular weight of 329.44 g/mol, XLogP of 2.15, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-[2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate is sourced from PubChem (CID 20731274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).