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

C16H24N4O3 — CID 56915341

IUPAC2-hydroxy-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
SMILESCc1nc(C2CCCN(C(=O)CO)C2)cc(N2CCOCC2)n1
InChIInChI=1S/C16H24N4O3/c1-12-17-14(9-15(18-12)19-5-7-23-8-6-19)13-3-2-4-20(10-13)16(22)11-21/h9,13,21H,2-8,10-11H2,1H3
InChIKeyCVKJYBSIIZBZJG-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.32
Rot. Bonds3

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

2-hydroxy-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone (PubChem CID 56915341) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-hydroxy-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
PubChem CID56915341
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name2-hydroxy-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
SMILESCc1nc(C2CCCN(C(=O)CO)C2)cc(N2CCOCC2)n1
InChIInChI=1S/C16H24N4O3/c1-12-17-14(9-15(18-12)19-5-7-23-8-6-19)13-3-2-4-20(10-13)16(22)11-21/h9,13,21H,2-8,10-11H2,1H3
InChIKeyCVKJYBSIIZBZJG-UHFFFAOYSA-N
XLogP0.32
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone (CID 56915341) is 2-hydroxy-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone is Cc1nc(C2CCCN(C(=O)CO)C2)cc(N2CCOCC2)n1.
What is the InChIKey of 2-hydroxy-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone?
The InChIKey is CVKJYBSIIZBZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-12-17-14(9-15(18-12)19-5-7-23-8-6-19)13-3-2-4-20(10-13)16(22)11-21/h9,13,21H,2-8,10-11H2,1H3.
What are the key properties of 2-hydroxy-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone?
2-hydroxy-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone has a molecular weight of 320.39 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 56915341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).