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

C16H23NO5 — CID 587907

IUPAC(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate
SMILESCC(=O)ON1C(C)(C)CC(OC(=O)c2ccco2)CC1(C)C
InChIInChI=1S/C16H23NO5/c1-11(18)22-17-15(2,3)9-12(10-16(17,4)5)21-14(19)13-7-6-8-20-13/h6-8,12H,9-10H2,1-5H3
InChIKeyJWYAQHPRSQQDLJ-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.94
Rot. Bonds3

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

(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate (PubChem CID 587907) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is (1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate.

Molecular Properties

Compound Name(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate
PubChem CID587907
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Name(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate
SMILESCC(=O)ON1C(C)(C)CC(OC(=O)c2ccco2)CC1(C)C
InChIInChI=1S/C16H23NO5/c1-11(18)22-17-15(2,3)9-12(10-16(17,4)5)21-14(19)13-7-6-8-20-13/h6-8,12H,9-10H2,1-5H3
InChIKeyJWYAQHPRSQQDLJ-UHFFFAOYSA-N
XLogP2.94
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate?
The IUPAC name of (1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate (CID 587907) is (1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate.
What is the SMILES notation for (1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate?
The canonical SMILES for (1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate is CC(=O)ON1C(C)(C)CC(OC(=O)c2ccco2)CC1(C)C.
What is the InChIKey of (1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate?
The InChIKey is JWYAQHPRSQQDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5/c1-11(18)22-17-15(2,3)9-12(10-16(17,4)5)21-14(19)13-7-6-8-20-13/h6-8,12H,9-10H2,1-5H3.
What are the key properties of (1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate?
(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate has a molecular weight of 309.36 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) furan-2-carboxylate is sourced from PubChem (CID 587907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).