(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) furan-2-carboxylate

C14H19NO4 — CID 565802

IUPAC(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) furan-2-carboxylate
SMILESCC1(C)CC(=O)CC(C)(C)N1OC(=O)c1ccco1
InChIInChI=1S/C14H19NO4/c1-13(2)8-10(16)9-14(3,4)15(13)19-12(17)11-6-5-7-18-11/h5-7H,8-9H2,1-4H3
InChIKeyUOASRZMFLROQBL-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.57
Rot. Bonds2

About (2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) furan-2-carboxylate

(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) furan-2-carboxylate (PubChem CID 565802) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) furan-2-carboxylate.

Molecular Properties

Compound Name(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) furan-2-carboxylate
PubChem CID565802
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) furan-2-carboxylate
SMILESCC1(C)CC(=O)CC(C)(C)N1OC(=O)c1ccco1
InChIInChI=1S/C14H19NO4/c1-13(2)8-10(16)9-14(3,4)15(13)19-12(17)11-6-5-7-18-11/h5-7H,8-9H2,1-4H3
InChIKeyUOASRZMFLROQBL-UHFFFAOYSA-N
XLogP2.57
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) furan-2-carboxylate?
The IUPAC name of (2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) furan-2-carboxylate (CID 565802) is (2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) furan-2-carboxylate.
What is the SMILES notation for (2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) furan-2-carboxylate?
The canonical SMILES for (2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) furan-2-carboxylate is CC1(C)CC(=O)CC(C)(C)N1OC(=O)c1ccco1.
What is the InChIKey of (2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) furan-2-carboxylate?
The InChIKey is UOASRZMFLROQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-13(2)8-10(16)9-14(3,4)15(13)19-12(17)11-6-5-7-18-11/h5-7H,8-9H2,1-4H3.
What are the key properties of (2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) furan-2-carboxylate?
(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) furan-2-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) furan-2-carboxylate is sourced from PubChem (CID 565802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).