3,4,5-triethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

C22H36N2O4 — CID 1084016

IUPAC3,4,5-triethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCCOc1cc(C(=O)NC2CC(C)(C)NC(C)(C)C2)cc(OCC)c1OCC
InChIInChI=1S/C22H36N2O4/c1-8-26-17-11-15(12-18(27-9-2)19(17)28-10-3)20(25)23-16-13-21(4,5)24-22(6,7)14-16/h11-12,16,24H,8-10,13-14H2,1-7H3,(H,23,25)
InChIKeyCMVCJOKOGUIRDW-UHFFFAOYSA-N
MW392.54 g/mol
LogP3.92
Rot. Bonds8

About 3,4,5-triethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

3,4,5-triethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (PubChem CID 1084016) has the molecular formula C22H36N2O4 and a molecular weight of 392.54 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
PubChem CID1084016
Molecular FormulaC22H36N2O4
Molecular Weight392.54 g/mol
Exact Mass392.27
IUPAC Name3,4,5-triethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCCOc1cc(C(=O)NC2CC(C)(C)NC(C)(C)C2)cc(OCC)c1OCC
InChIInChI=1S/C22H36N2O4/c1-8-26-17-11-15(12-18(27-9-2)19(17)28-10-3)20(25)23-16-13-21(4,5)24-22(6,7)14-16/h11-12,16,24H,8-10,13-14H2,1-7H3,(H,23,25)
InChIKeyCMVCJOKOGUIRDW-UHFFFAOYSA-N
XLogP3.92
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The IUPAC name of 3,4,5-triethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (CID 1084016) is 3,4,5-triethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is CCOc1cc(C(=O)NC2CC(C)(C)NC(C)(C)C2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The InChIKey is CMVCJOKOGUIRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O4/c1-8-26-17-11-15(12-18(27-9-2)19(17)28-10-3)20(25)23-16-13-21(4,5)24-22(6,7)14-16/h11-12,16,24H,8-10,13-14H2,1-7H3,(H,23,25).
What are the key properties of 3,4,5-triethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
3,4,5-triethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide has a molecular weight of 392.54 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is sourced from PubChem (CID 1084016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).