(4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl) pyridine-2-carboxylate

C17H25N3O3 — CID 556040

IUPAC(4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl) pyridine-2-carboxylate
SMILESCC(=O)NC1CC(C)(C)N(OC(=O)c2ccccn2)C(C)(C)C1
InChIInChI=1S/C17H25N3O3/c1-12(21)19-13-10-16(2,3)20(17(4,5)11-13)23-15(22)14-8-6-7-9-18-14/h6-9,13H,10-11H2,1-5H3,(H,19,21)
InChIKeyIRPYRJYVSBNHJH-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.31
Rot. Bonds3

About (4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl) pyridine-2-carboxylate

(4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl) pyridine-2-carboxylate (PubChem CID 556040) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is (4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl) pyridine-2-carboxylate.

Molecular Properties

Compound Name(4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl) pyridine-2-carboxylate
PubChem CID556040
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name(4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl) pyridine-2-carboxylate
SMILESCC(=O)NC1CC(C)(C)N(OC(=O)c2ccccn2)C(C)(C)C1
InChIInChI=1S/C17H25N3O3/c1-12(21)19-13-10-16(2,3)20(17(4,5)11-13)23-15(22)14-8-6-7-9-18-14/h6-9,13H,10-11H2,1-5H3,(H,19,21)
InChIKeyIRPYRJYVSBNHJH-UHFFFAOYSA-N
XLogP2.31
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl) pyridine-2-carboxylate?
The IUPAC name of (4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl) pyridine-2-carboxylate (CID 556040) is (4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl) pyridine-2-carboxylate.
What is the SMILES notation for (4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl) pyridine-2-carboxylate?
The canonical SMILES for (4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl) pyridine-2-carboxylate is CC(=O)NC1CC(C)(C)N(OC(=O)c2ccccn2)C(C)(C)C1.
What is the InChIKey of (4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl) pyridine-2-carboxylate?
The InChIKey is IRPYRJYVSBNHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-12(21)19-13-10-16(2,3)20(17(4,5)11-13)23-15(22)14-8-6-7-9-18-14/h6-9,13H,10-11H2,1-5H3,(H,19,21).
What are the key properties of (4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl) pyridine-2-carboxylate?
(4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl) pyridine-2-carboxylate has a molecular weight of 319.40 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl) pyridine-2-carboxylate is sourced from PubChem (CID 556040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).