5-(2,2,6-trimethylmorpholine-4-carbonyl)piperidin-2-one

C13H22N2O3 — CID 48690281

IUPAC5-(2,2,6-trimethylmorpholine-4-carbonyl)piperidin-2-one
SMILESCC1CN(C(=O)C2CCC(=O)NC2)CC(C)(C)O1
InChIInChI=1S/C13H22N2O3/c1-9-7-15(8-13(2,3)18-9)12(17)10-4-5-11(16)14-6-10/h9-10H,4-8H2,1-3H3,(H,14,16)
InChIKeyOJPPQQCVGRXCFM-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.54
Rot. Bonds1

About 5-(2,2,6-trimethylmorpholine-4-carbonyl)piperidin-2-one

5-(2,2,6-trimethylmorpholine-4-carbonyl)piperidin-2-one (PubChem CID 48690281) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 5-(2,2,6-trimethylmorpholine-4-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name5-(2,2,6-trimethylmorpholine-4-carbonyl)piperidin-2-one
PubChem CID48690281
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name5-(2,2,6-trimethylmorpholine-4-carbonyl)piperidin-2-one
SMILESCC1CN(C(=O)C2CCC(=O)NC2)CC(C)(C)O1
InChIInChI=1S/C13H22N2O3/c1-9-7-15(8-13(2,3)18-9)12(17)10-4-5-11(16)14-6-10/h9-10H,4-8H2,1-3H3,(H,14,16)
InChIKeyOJPPQQCVGRXCFM-UHFFFAOYSA-N
XLogP0.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2,6-trimethylmorpholine-4-carbonyl)piperidin-2-one?
The IUPAC name of 5-(2,2,6-trimethylmorpholine-4-carbonyl)piperidin-2-one (CID 48690281) is 5-(2,2,6-trimethylmorpholine-4-carbonyl)piperidin-2-one.
What is the SMILES notation for 5-(2,2,6-trimethylmorpholine-4-carbonyl)piperidin-2-one?
The canonical SMILES for 5-(2,2,6-trimethylmorpholine-4-carbonyl)piperidin-2-one is CC1CN(C(=O)C2CCC(=O)NC2)CC(C)(C)O1.
What is the InChIKey of 5-(2,2,6-trimethylmorpholine-4-carbonyl)piperidin-2-one?
The InChIKey is OJPPQQCVGRXCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-9-7-15(8-13(2,3)18-9)12(17)10-4-5-11(16)14-6-10/h9-10H,4-8H2,1-3H3,(H,14,16).
What are the key properties of 5-(2,2,6-trimethylmorpholine-4-carbonyl)piperidin-2-one?
5-(2,2,6-trimethylmorpholine-4-carbonyl)piperidin-2-one has a molecular weight of 254.33 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,6-trimethylmorpholine-4-carbonyl)piperidin-2-one is sourced from PubChem (CID 48690281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).