methyl 3-(furan-2-yl)-3-oxo-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate

C17H25NO5 — CID 122388239

IUPACmethyl 3-(furan-2-yl)-3-oxo-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate
SMILESCOC(=O)C(ON1C(C)(C)CCCC1(C)C)C(=O)c1ccco1
InChIInChI=1S/C17H25NO5/c1-16(2)9-7-10-17(3,4)18(16)23-14(15(20)21-5)13(19)12-8-6-11-22-12/h6,8,11,14H,7,9-10H2,1-5H3
InChIKeyUXJLLWFYXBUKNT-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.98
Rot. Bonds5

About methyl 3-(furan-2-yl)-3-oxo-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate

methyl 3-(furan-2-yl)-3-oxo-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate (PubChem CID 122388239) has the molecular formula C17H25NO5 and a molecular weight of 323.39 g/mol. Its IUPAC name is methyl 3-(furan-2-yl)-3-oxo-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate.

Molecular Properties

Compound Namemethyl 3-(furan-2-yl)-3-oxo-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate
PubChem CID122388239
Molecular FormulaC17H25NO5
Molecular Weight323.39 g/mol
Exact Mass323.17
IUPAC Namemethyl 3-(furan-2-yl)-3-oxo-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate
SMILESCOC(=O)C(ON1C(C)(C)CCCC1(C)C)C(=O)c1ccco1
InChIInChI=1S/C17H25NO5/c1-16(2)9-7-10-17(3,4)18(16)23-14(15(20)21-5)13(19)12-8-6-11-22-12/h6,8,11,14H,7,9-10H2,1-5H3
InChIKeyUXJLLWFYXBUKNT-UHFFFAOYSA-N
XLogP2.98
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl 3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate
CID 13213172
1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutane-1,3-dione
CID 12997351
methyl 2-(furan-2-carbonylamino)-3-piperidin-1-ylpropanoate
CID 159951428
(2R)-2-(18F)fluoro-1-(furan-2-yl)-2-methoxyethanone
CID 162417007
(2,2,6,6-tetramethylpiperidin-1-yl) 2-(furan-2-ylmethyl)-4-methyl-3-oxopentanoate
CID 11695973
1,3-bis(furan-2-yl)-2-methylpropane-1,3-dione
CID 15262340
N-[(1-methylcyclobutyl)methyl]furan-2-carboxamide
CID 103737372
1,4-bis(furan-2-yl)-2,3-dihydroxybutane-1,4-dione
CID 121014452
methyl 4-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-4-oxobutanoate
CID 110797620
methyl (2R,3R)-3-azido-3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate
CID 102140721
methyl 2-(furan-2-yl)-2-methoxyacetate
CID 173192079
azepan-1-yl(furan-2-yl)methanone
CID 5200992

Frequently Asked Questions

What is the IUPAC name of methyl 3-(furan-2-yl)-3-oxo-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate?
The IUPAC name of methyl 3-(furan-2-yl)-3-oxo-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate (CID 122388239) is methyl 3-(furan-2-yl)-3-oxo-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate.
What is the SMILES notation for methyl 3-(furan-2-yl)-3-oxo-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate?
The canonical SMILES for methyl 3-(furan-2-yl)-3-oxo-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate is COC(=O)C(ON1C(C)(C)CCCC1(C)C)C(=O)c1ccco1.
What is the InChIKey of methyl 3-(furan-2-yl)-3-oxo-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate?
The InChIKey is UXJLLWFYXBUKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO5/c1-16(2)9-7-10-17(3,4)18(16)23-14(15(20)21-5)13(19)12-8-6-11-22-12/h6,8,11,14H,7,9-10H2,1-5H3.
What are the key properties of methyl 3-(furan-2-yl)-3-oxo-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate?
methyl 3-(furan-2-yl)-3-oxo-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate has a molecular weight of 323.39 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(furan-2-yl)-3-oxo-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate is sourced from PubChem (CID 122388239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).