1-[2-(2,6-dimethylmorpholin-4-yl)acetyl]piperidin-4-one

C13H22N2O3 — CID 43229263

IUPAC1-[2-(2,6-dimethylmorpholin-4-yl)acetyl]piperidin-4-one
SMILESCC1CN(CC(=O)N2CCC(=O)CC2)CC(C)O1
InChIInChI=1S/C13H22N2O3/c1-10-7-14(8-11(2)18-10)9-13(17)15-5-3-12(16)4-6-15/h10-11H,3-9H2,1-2H3
InChIKeyJRHXUAYCFOUYFS-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.29
Rot. Bonds2

About 1-[2-(2,6-dimethylmorpholin-4-yl)acetyl]piperidin-4-one

1-[2-(2,6-dimethylmorpholin-4-yl)acetyl]piperidin-4-one (PubChem CID 43229263) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[2-(2,6-dimethylmorpholin-4-yl)acetyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-(2,6-dimethylmorpholin-4-yl)acetyl]piperidin-4-one
PubChem CID43229263
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-[2-(2,6-dimethylmorpholin-4-yl)acetyl]piperidin-4-one
SMILESCC1CN(CC(=O)N2CCC(=O)CC2)CC(C)O1
InChIInChI=1S/C13H22N2O3/c1-10-7-14(8-11(2)18-10)9-13(17)15-5-3-12(16)4-6-15/h10-11H,3-9H2,1-2H3
InChIKeyJRHXUAYCFOUYFS-UHFFFAOYSA-N
XLogP0.29
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dimethylmorpholin-4-yl)acetyl]piperidin-4-one?
The IUPAC name of 1-[2-(2,6-dimethylmorpholin-4-yl)acetyl]piperidin-4-one (CID 43229263) is 1-[2-(2,6-dimethylmorpholin-4-yl)acetyl]piperidin-4-one.
What is the SMILES notation for 1-[2-(2,6-dimethylmorpholin-4-yl)acetyl]piperidin-4-one?
The canonical SMILES for 1-[2-(2,6-dimethylmorpholin-4-yl)acetyl]piperidin-4-one is CC1CN(CC(=O)N2CCC(=O)CC2)CC(C)O1.
What is the InChIKey of 1-[2-(2,6-dimethylmorpholin-4-yl)acetyl]piperidin-4-one?
The InChIKey is JRHXUAYCFOUYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-10-7-14(8-11(2)18-10)9-13(17)15-5-3-12(16)4-6-15/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-[2-(2,6-dimethylmorpholin-4-yl)acetyl]piperidin-4-one?
1-[2-(2,6-dimethylmorpholin-4-yl)acetyl]piperidin-4-one has a molecular weight of 254.33 g/mol, XLogP of 0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dimethylmorpholin-4-yl)acetyl]piperidin-4-one is sourced from PubChem (CID 43229263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).