methyl 3-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate

C17H28N2O8 — CID 3864373

IUPACmethyl 3-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCOCCOCCOCC(=O)N1CCC(N2C(=O)OCC2C(=O)OC)CC1
InChIInChI=1S/C17H28N2O8/c1-23-7-8-25-9-10-26-12-15(20)18-5-3-13(4-6-18)19-14(16(21)24-2)11-27-17(19)22/h13-14H,3-12H2,1-2H3
InChIKeyUYTAAXMGAJNXBO-UHFFFAOYSA-N
MW388.42 g/mol
LogP-0.35
Rot. Bonds10

About methyl 3-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate

methyl 3-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate (PubChem CID 3864373) has the molecular formula C17H28N2O8 and a molecular weight of 388.42 g/mol. Its IUPAC name is methyl 3-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
PubChem CID3864373
Molecular FormulaC17H28N2O8
Molecular Weight388.42 g/mol
Exact Mass388.18
IUPAC Namemethyl 3-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCOCCOCCOCC(=O)N1CCC(N2C(=O)OCC2C(=O)OC)CC1
InChIInChI=1S/C17H28N2O8/c1-23-7-8-25-9-10-26-12-15(20)18-5-3-13(4-6-18)19-14(16(21)24-2)11-27-17(19)22/h13-14H,3-12H2,1-2H3
InChIKeyUYTAAXMGAJNXBO-UHFFFAOYSA-N
XLogP-0.35
TPSA103.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl 3-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate (CID 3864373) is methyl 3-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl 3-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl 3-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate is COCCOCCOCC(=O)N1CCC(N2C(=O)OCC2C(=O)OC)CC1.
What is the InChIKey of methyl 3-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate?
The InChIKey is UYTAAXMGAJNXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O8/c1-23-7-8-25-9-10-26-12-15(20)18-5-3-13(4-6-18)19-14(16(21)24-2)11-27-17(19)22/h13-14H,3-12H2,1-2H3.
What are the key properties of methyl 3-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate?
methyl 3-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate has a molecular weight of 388.42 g/mol, XLogP of -0.35, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 3864373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).