(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) pyridine-4-carboxylate

C15H20N2O3 — CID 571889

IUPAC(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) pyridine-4-carboxylate
SMILESCC1(C)CC(=O)CC(C)(C)N1OC(=O)c1ccncc1
InChIInChI=1S/C15H20N2O3/c1-14(2)9-12(18)10-15(3,4)17(14)20-13(19)11-5-7-16-8-6-11/h5-8H,9-10H2,1-4H3
InChIKeyUNYMAHKREUHAHT-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.38
Rot. Bonds2

About (2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) pyridine-4-carboxylate

(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) pyridine-4-carboxylate (PubChem CID 571889) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) pyridine-4-carboxylate.

Molecular Properties

Compound Name(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) pyridine-4-carboxylate
PubChem CID571889
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) pyridine-4-carboxylate
SMILESCC1(C)CC(=O)CC(C)(C)N1OC(=O)c1ccncc1
InChIInChI=1S/C15H20N2O3/c1-14(2)9-12(18)10-15(3,4)17(14)20-13(19)11-5-7-16-8-6-11/h5-8H,9-10H2,1-4H3
InChIKeyUNYMAHKREUHAHT-UHFFFAOYSA-N
XLogP2.38
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) pyridine-4-carboxylate?
The IUPAC name of (2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) pyridine-4-carboxylate (CID 571889) is (2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) pyridine-4-carboxylate.
What is the SMILES notation for (2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) pyridine-4-carboxylate?
The canonical SMILES for (2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) pyridine-4-carboxylate is CC1(C)CC(=O)CC(C)(C)N1OC(=O)c1ccncc1.
What is the InChIKey of (2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) pyridine-4-carboxylate?
The InChIKey is UNYMAHKREUHAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-14(2)9-12(18)10-15(3,4)17(14)20-13(19)11-5-7-16-8-6-11/h5-8H,9-10H2,1-4H3.
What are the key properties of (2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) pyridine-4-carboxylate?
(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) pyridine-4-carboxylate has a molecular weight of 276.34 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,6,6-tetramethyl-4-oxopiperidin-1-yl) pyridine-4-carboxylate is sourced from PubChem (CID 571889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).