(1-benzoyloxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate

C21H25NO5 — CID 1272692

IUPAC(1-benzoyloxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate
SMILESCC1(C)CC(OC(=O)c2ccco2)CC(C)(C)N1OC(=O)c1ccccc1
InChIInChI=1S/C21H25NO5/c1-20(2)13-16(26-19(24)17-11-8-12-25-17)14-21(3,4)22(20)27-18(23)15-9-6-5-7-10-15/h5-12,16H,13-14H2,1-4H3
InChIKeyVTEQMSZWUSDZFA-UHFFFAOYSA-N
MW371.43 g/mol
LogP4.23
Rot. Bonds4

About (1-benzoyloxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate

(1-benzoyloxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate (PubChem CID 1272692) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is (1-benzoyloxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate.

Molecular Properties

Compound Name(1-benzoyloxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate
PubChem CID1272692
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name(1-benzoyloxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate
SMILESCC1(C)CC(OC(=O)c2ccco2)CC(C)(C)N1OC(=O)c1ccccc1
InChIInChI=1S/C21H25NO5/c1-20(2)13-16(26-19(24)17-11-8-12-25-17)14-21(3,4)22(20)27-18(23)15-9-6-5-7-10-15/h5-12,16H,13-14H2,1-4H3
InChIKeyVTEQMSZWUSDZFA-UHFFFAOYSA-N
XLogP4.23
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-benzoyloxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate?
The IUPAC name of (1-benzoyloxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate (CID 1272692) is (1-benzoyloxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate.
What is the SMILES notation for (1-benzoyloxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate?
The canonical SMILES for (1-benzoyloxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate is CC1(C)CC(OC(=O)c2ccco2)CC(C)(C)N1OC(=O)c1ccccc1.
What is the InChIKey of (1-benzoyloxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate?
The InChIKey is VTEQMSZWUSDZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5/c1-20(2)13-16(26-19(24)17-11-8-12-25-17)14-21(3,4)22(20)27-18(23)15-9-6-5-7-10-15/h5-12,16H,13-14H2,1-4H3.
What are the key properties of (1-benzoyloxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate?
(1-benzoyloxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate has a molecular weight of 371.43 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzoyloxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate is sourced from PubChem (CID 1272692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).