methyl (4R)-3-[1-(4,5-dimethylfuran-2-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate

C17H22N2O6 — CID 23941107

IUPACmethyl (4R)-3-[1-(4,5-dimethylfuran-2-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)[C@H]1COC(=O)N1C1CCN(C(=O)c2cc(C)c(C)o2)CC1
InChIInChI=1S/C17H22N2O6/c1-10-8-14(25-11(10)2)15(20)18-6-4-12(5-7-18)19-13(16(21)23-3)9-24-17(19)22/h8,12-13H,4-7,9H2,1-3H3/t13-/m1/s1
InChIKeyGIRKQBTXFIOVFK-CYBMUJFWSA-N
MW350.37 g/mol
LogP1.49
Rot. Bonds3

About methyl (4R)-3-[1-(4,5-dimethylfuran-2-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate

methyl (4R)-3-[1-(4,5-dimethylfuran-2-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate (PubChem CID 23941107) has the molecular formula C17H22N2O6 and a molecular weight of 350.37 g/mol. Its IUPAC name is methyl (4R)-3-[1-(4,5-dimethylfuran-2-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-3-[1-(4,5-dimethylfuran-2-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
PubChem CID23941107
Molecular FormulaC17H22N2O6
Molecular Weight350.37 g/mol
Exact Mass350.15
IUPAC Namemethyl (4R)-3-[1-(4,5-dimethylfuran-2-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)[C@H]1COC(=O)N1C1CCN(C(=O)c2cc(C)c(C)o2)CC1
InChIInChI=1S/C17H22N2O6/c1-10-8-14(25-11(10)2)15(20)18-6-4-12(5-7-18)19-13(16(21)23-3)9-24-17(19)22/h8,12-13H,4-7,9H2,1-3H3/t13-/m1/s1
InChIKeyGIRKQBTXFIOVFK-CYBMUJFWSA-N
XLogP1.49
TPSA89.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl (4R)-3-[1-(4,5-dimethylfuran-2-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate with MolForge

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Related Compounds

methyl 3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 3578928
ethyl 3-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 4513296
methyl (4R)-3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 23732408
methyl (4S)-3-[1-(5-chloro-4-methoxythiophene-3-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 74225202
methyl (4S)-3-[1-[2-(3,4-dimethoxyphenyl)sulfanylacetyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 74226831
methyl (4R)-3-[1-(2-chloro-3,4-dimethoxybenzoyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 23881553
methyl 3-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 3864373
methyl 3-[1-[2-(furan-2-carbonylamino)acetyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 3852671
ethyl 1-(4,5-dimethylfuran-2-carbonyl)piperidine-4-carboxylate
CID 110697653
methyl 3-[1-[2-(1H-indol-3-yl)-2-oxoacetyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 3685515
ethyl 2-oxo-3-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate
CID 3816107
methyl 3-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 3518759

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-3-[1-(4,5-dimethylfuran-2-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl (4R)-3-[1-(4,5-dimethylfuran-2-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate (CID 23941107) is methyl (4R)-3-[1-(4,5-dimethylfuran-2-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl (4R)-3-[1-(4,5-dimethylfuran-2-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl (4R)-3-[1-(4,5-dimethylfuran-2-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate is COC(=O)[C@H]1COC(=O)N1C1CCN(C(=O)c2cc(C)c(C)o2)CC1.
What is the InChIKey of methyl (4R)-3-[1-(4,5-dimethylfuran-2-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate?
The InChIKey is GIRKQBTXFIOVFK-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22N2O6/c1-10-8-14(25-11(10)2)15(20)18-6-4-12(5-7-18)19-13(16(21)23-3)9-24-17(19)22/h8,12-13H,4-7,9H2,1-3H3/t13-/m1/s1.
What are the key properties of methyl (4R)-3-[1-(4,5-dimethylfuran-2-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate?
methyl (4R)-3-[1-(4,5-dimethylfuran-2-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate has a molecular weight of 350.37 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-3-[1-(4,5-dimethylfuran-2-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 23941107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).