[2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 4-iodobenzoate

C18H22INO4 — CID 24574821

IUPAC[2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 4-iodobenzoate
SMILESCC1(C)CC(=O)CC(C)(C)N1C(=O)COC(=O)c1ccc(I)cc1
InChIInChI=1S/C18H22INO4/c1-17(2)9-14(21)10-18(3,4)20(17)15(22)11-24-16(23)12-5-7-13(19)8-6-12/h5-8H,9-11H2,1-4H3
InChIKeyNDRGNGKHTPMFCH-UHFFFAOYSA-N
MW443.28 g/mol
LogP3.20
Rot. Bonds3

About [2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 4-iodobenzoate

[2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 4-iodobenzoate (PubChem CID 24574821) has the molecular formula C18H22INO4 and a molecular weight of 443.28 g/mol. Its IUPAC name is [2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 4-iodobenzoate.

Molecular Properties

Compound Name[2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 4-iodobenzoate
PubChem CID24574821
Molecular FormulaC18H22INO4
Molecular Weight443.28 g/mol
Exact Mass443.06
IUPAC Name[2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 4-iodobenzoate
SMILESCC1(C)CC(=O)CC(C)(C)N1C(=O)COC(=O)c1ccc(I)cc1
InChIInChI=1S/C18H22INO4/c1-17(2)9-14(21)10-18(3,4)20(17)15(22)11-24-16(23)12-5-7-13(19)8-6-12/h5-8H,9-11H2,1-4H3
InChIKeyNDRGNGKHTPMFCH-UHFFFAOYSA-N
XLogP3.20
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.28
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 4-(1,3-dioxoisoindol-2-yl)benzoate
CID 24593018
[2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate
CID 24596952
[2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 24598754
[2-(carbamoylamino)-2-oxoethyl] 4-iodobenzoate
CID 2469650
silylmethyl 4-iodobenzoate
CID 157209971
hexadecyl 4-iodobenzoate
CID 68623259
dodecyl 4-(4-iodophenyl)benzoate
CID 121325045
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 4-iodobenzoate
CID 2642847
[2-(4-acetamidoanilino)-2-oxoethyl] 4-iodobenzoate
CID 2505523
[2-(azetidin-1-yl)-2-oxoethyl] 4-methylbenzoate;butane
CID 145271247
2-trimethylsilylethyl 4-iodobenzoate
CID 11290981
[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 4-iodobenzoate
CID 11916922

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 4-iodobenzoate?
The IUPAC name of [2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 4-iodobenzoate (CID 24574821) is [2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 4-iodobenzoate.
What is the SMILES notation for [2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 4-iodobenzoate?
The canonical SMILES for [2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 4-iodobenzoate is CC1(C)CC(=O)CC(C)(C)N1C(=O)COC(=O)c1ccc(I)cc1.
What is the InChIKey of [2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 4-iodobenzoate?
The InChIKey is NDRGNGKHTPMFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22INO4/c1-17(2)9-14(21)10-18(3,4)20(17)15(22)11-24-16(23)12-5-7-13(19)8-6-12/h5-8H,9-11H2,1-4H3.
What are the key properties of [2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 4-iodobenzoate?
[2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 4-iodobenzoate has a molecular weight of 443.28 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)ethyl] 4-iodobenzoate is sourced from PubChem (CID 24574821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).