3,4,5-trimethyl-5-(2,2,6,6-tetramethylpiperidin-1-yl)oxyfuran-2-one

C16H27NO3 — CID 139598364

IUPAC3,4,5-trimethyl-5-(2,2,6,6-tetramethylpiperidin-1-yl)oxyfuran-2-one
SMILESCC1=C(C)C(C)(ON2C(C)(C)CCCC2(C)C)OC1=O
InChIInChI=1S/C16H27NO3/c1-11-12(2)16(7,19-13(11)18)20-17-14(3,4)9-8-10-15(17,5)6/h8-10H2,1-7H3
InChIKeyRRPBFOQZFURNIR-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.57
Rot. Bonds2

About 3,4,5-trimethyl-5-(2,2,6,6-tetramethylpiperidin-1-yl)oxyfuran-2-one

3,4,5-trimethyl-5-(2,2,6,6-tetramethylpiperidin-1-yl)oxyfuran-2-one (PubChem CID 139598364) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3,4,5-trimethyl-5-(2,2,6,6-tetramethylpiperidin-1-yl)oxyfuran-2-one.

Molecular Properties

Compound Name3,4,5-trimethyl-5-(2,2,6,6-tetramethylpiperidin-1-yl)oxyfuran-2-one
PubChem CID139598364
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name3,4,5-trimethyl-5-(2,2,6,6-tetramethylpiperidin-1-yl)oxyfuran-2-one
SMILESCC1=C(C)C(C)(ON2C(C)(C)CCCC2(C)C)OC1=O
InChIInChI=1S/C16H27NO3/c1-11-12(2)16(7,19-13(11)18)20-17-14(3,4)9-8-10-15(17,5)6/h8-10H2,1-7H3
InChIKeyRRPBFOQZFURNIR-UHFFFAOYSA-N
XLogP3.57
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethyl-5-(2,2,6,6-tetramethylpiperidin-1-yl)oxyfuran-2-one?
The IUPAC name of 3,4,5-trimethyl-5-(2,2,6,6-tetramethylpiperidin-1-yl)oxyfuran-2-one (CID 139598364) is 3,4,5-trimethyl-5-(2,2,6,6-tetramethylpiperidin-1-yl)oxyfuran-2-one.
What is the SMILES notation for 3,4,5-trimethyl-5-(2,2,6,6-tetramethylpiperidin-1-yl)oxyfuran-2-one?
The canonical SMILES for 3,4,5-trimethyl-5-(2,2,6,6-tetramethylpiperidin-1-yl)oxyfuran-2-one is CC1=C(C)C(C)(ON2C(C)(C)CCCC2(C)C)OC1=O.
What is the InChIKey of 3,4,5-trimethyl-5-(2,2,6,6-tetramethylpiperidin-1-yl)oxyfuran-2-one?
The InChIKey is RRPBFOQZFURNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-11-12(2)16(7,19-13(11)18)20-17-14(3,4)9-8-10-15(17,5)6/h8-10H2,1-7H3.
What are the key properties of 3,4,5-trimethyl-5-(2,2,6,6-tetramethylpiperidin-1-yl)oxyfuran-2-one?
3,4,5-trimethyl-5-(2,2,6,6-tetramethylpiperidin-1-yl)oxyfuran-2-one has a molecular weight of 281.40 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethyl-5-(2,2,6,6-tetramethylpiperidin-1-yl)oxyfuran-2-one is sourced from PubChem (CID 139598364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).