1-[5-(2,5-dimethylmorpholin-4-yl)-2-pyridinyl]ethanone

C13H18N2O2 — CID 83119152

IUPAC1-[5-(2,5-dimethylmorpholin-4-yl)-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(N2CC(C)OCC2C)cn1
InChIInChI=1S/C13H18N2O2/c1-9-8-17-10(2)7-15(9)12-4-5-13(11(3)16)14-6-12/h4-6,9-10H,7-8H2,1-3H3
InChIKeyXCZCMGICIAEBKK-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.90
Rot. Bonds2

About 1-[5-(2,5-dimethylmorpholin-4-yl)-2-pyridinyl]ethanone

1-[5-(2,5-dimethylmorpholin-4-yl)-2-pyridinyl]ethanone (PubChem CID 83119152) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[5-(2,5-dimethylmorpholin-4-yl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-(2,5-dimethylmorpholin-4-yl)-2-pyridinyl]ethanone
PubChem CID83119152
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-[5-(2,5-dimethylmorpholin-4-yl)-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(N2CC(C)OCC2C)cn1
InChIInChI=1S/C13H18N2O2/c1-9-8-17-10(2)7-15(9)12-4-5-13(11(3)16)14-6-12/h4-6,9-10H,7-8H2,1-3H3
InChIKeyXCZCMGICIAEBKK-UHFFFAOYSA-N
XLogP1.90
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,5-dimethylmorpholin-4-yl)-2-pyridinyl]ethanone?
The IUPAC name of 1-[5-(2,5-dimethylmorpholin-4-yl)-2-pyridinyl]ethanone (CID 83119152) is 1-[5-(2,5-dimethylmorpholin-4-yl)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-(2,5-dimethylmorpholin-4-yl)-2-pyridinyl]ethanone?
The canonical SMILES for 1-[5-(2,5-dimethylmorpholin-4-yl)-2-pyridinyl]ethanone is CC(=O)c1ccc(N2CC(C)OCC2C)cn1.
What is the InChIKey of 1-[5-(2,5-dimethylmorpholin-4-yl)-2-pyridinyl]ethanone?
The InChIKey is XCZCMGICIAEBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-8-17-10(2)7-15(9)12-4-5-13(11(3)16)14-6-12/h4-6,9-10H,7-8H2,1-3H3.
What are the key properties of 1-[5-(2,5-dimethylmorpholin-4-yl)-2-pyridinyl]ethanone?
1-[5-(2,5-dimethylmorpholin-4-yl)-2-pyridinyl]ethanone has a molecular weight of 234.30 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,5-dimethylmorpholin-4-yl)-2-pyridinyl]ethanone is sourced from PubChem (CID 83119152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).