5-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzene-1,3-dicarboxylic acid

C18H23NO6 — CID 70231600

IUPAC5-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzene-1,3-dicarboxylic acid
SMILESCC1(C)CC(OC(=O)c2cc(C(=O)O)cc(C(=O)O)c2)CC(C)(C)N1
InChIInChI=1S/C18H23NO6/c1-17(2)8-13(9-18(3,4)19-17)25-16(24)12-6-10(14(20)21)5-11(7-12)15(22)23/h5-7,13,19H,8-9H2,1-4H3,(H,20,21)(H,22,23)
InChIKeyLZDJAQADIZATLQ-UHFFFAOYSA-N
MW349.38 g/mol
LogP2.55
Rot. Bonds4

About 5-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzene-1,3-dicarboxylic acid

5-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzene-1,3-dicarboxylic acid (PubChem CID 70231600) has the molecular formula C18H23NO6 and a molecular weight of 349.38 g/mol. Its IUPAC name is 5-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name5-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzene-1,3-dicarboxylic acid
PubChem CID70231600
Molecular FormulaC18H23NO6
Molecular Weight349.38 g/mol
Exact Mass349.15
IUPAC Name5-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzene-1,3-dicarboxylic acid
SMILESCC1(C)CC(OC(=O)c2cc(C(=O)O)cc(C(=O)O)c2)CC(C)(C)N1
InChIInChI=1S/C18H23NO6/c1-17(2)8-13(9-18(3,4)19-17)25-16(24)12-6-10(14(20)21)5-11(7-12)15(22)23/h5-7,13,19H,8-9H2,1-4H3,(H,20,21)(H,22,23)
InChIKeyLZDJAQADIZATLQ-UHFFFAOYSA-N
XLogP2.55
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzene-1,3-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzene-1,3-dicarboxylic acid?
The IUPAC name of 5-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzene-1,3-dicarboxylic acid (CID 70231600) is 5-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzene-1,3-dicarboxylic acid.
What is the SMILES notation for 5-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzene-1,3-dicarboxylic acid?
The canonical SMILES for 5-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzene-1,3-dicarboxylic acid is CC1(C)CC(OC(=O)c2cc(C(=O)O)cc(C(=O)O)c2)CC(C)(C)N1.
What is the InChIKey of 5-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzene-1,3-dicarboxylic acid?
The InChIKey is LZDJAQADIZATLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO6/c1-17(2)8-13(9-18(3,4)19-17)25-16(24)12-6-10(14(20)21)5-11(7-12)15(22)23/h5-7,13,19H,8-9H2,1-4H3,(H,20,21)(H,22,23).
What are the key properties of 5-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzene-1,3-dicarboxylic acid?
5-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzene-1,3-dicarboxylic acid has a molecular weight of 349.38 g/mol, XLogP of 2.55, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbenzene-1,3-dicarboxylic acid is sourced from PubChem (CID 70231600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).