2-ethoxy-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone

C18H28N4O3 — CID 70710125

IUPAC2-ethoxy-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
SMILESCCOCC(=O)N1CCCC(c2cc(N3CCOCC3)nc(C)n2)C1
InChIInChI=1S/C18H28N4O3/c1-3-24-13-18(23)22-6-4-5-15(12-22)16-11-17(20-14(2)19-16)21-7-9-25-10-8-21/h11,15H,3-10,12-13H2,1-2H3
InChIKeyCHJIKFXIIKOTAG-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.36
Rot. Bonds5

About 2-ethoxy-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone

2-ethoxy-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone (PubChem CID 70710125) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-ethoxy-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-ethoxy-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
PubChem CID70710125
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name2-ethoxy-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
SMILESCCOCC(=O)N1CCCC(c2cc(N3CCOCC3)nc(C)n2)C1
InChIInChI=1S/C18H28N4O3/c1-3-24-13-18(23)22-6-4-5-15(12-22)16-11-17(20-14(2)19-16)21-7-9-25-10-8-21/h11,15H,3-10,12-13H2,1-2H3
InChIKeyCHJIKFXIIKOTAG-UHFFFAOYSA-N
XLogP1.36
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-ethoxy-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone (CID 70710125) is 2-ethoxy-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-ethoxy-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-ethoxy-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone is CCOCC(=O)N1CCCC(c2cc(N3CCOCC3)nc(C)n2)C1.
What is the InChIKey of 2-ethoxy-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone?
The InChIKey is CHJIKFXIIKOTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-3-24-13-18(23)22-6-4-5-15(12-22)16-11-17(20-14(2)19-16)21-7-9-25-10-8-21/h11,15H,3-10,12-13H2,1-2H3.
What are the key properties of 2-ethoxy-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone?
2-ethoxy-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone has a molecular weight of 348.45 g/mol, XLogP of 1.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 70710125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).