2-[2-(3-methoxypiperidin-1-yl)-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid

C18H28N4O4 — CID 72882110

IUPAC2-[2-(3-methoxypiperidin-1-yl)-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid
SMILESCOC1CCCN(c2ncc(C(C)(C)C(=O)O)c(N3CCOCC3)n2)C1
InChIInChI=1S/C18H28N4O4/c1-18(2,16(23)24)14-11-19-17(22-6-4-5-13(12-22)25-3)20-15(14)21-7-9-26-10-8-21/h11,13H,4-10,12H2,1-3H3,(H,23,24)
InChIKeyHJPYYUNFDOTKLQ-UHFFFAOYSA-N
MW364.45 g/mol
LogP1.29
Rot. Bonds5

About 2-[2-(3-methoxypiperidin-1-yl)-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid

2-[2-(3-methoxypiperidin-1-yl)-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid (PubChem CID 72882110) has the molecular formula C18H28N4O4 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[2-(3-methoxypiperidin-1-yl)-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2-(3-methoxypiperidin-1-yl)-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid
PubChem CID72882110
Molecular FormulaC18H28N4O4
Molecular Weight364.45 g/mol
Exact Mass364.21
IUPAC Name2-[2-(3-methoxypiperidin-1-yl)-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid
SMILESCOC1CCCN(c2ncc(C(C)(C)C(=O)O)c(N3CCOCC3)n2)C1
InChIInChI=1S/C18H28N4O4/c1-18(2,16(23)24)14-11-19-17(22-6-4-5-13(12-22)25-3)20-15(14)21-7-9-26-10-8-21/h11,13H,4-10,12H2,1-3H3,(H,23,24)
InChIKeyHJPYYUNFDOTKLQ-UHFFFAOYSA-N
XLogP1.29
TPSA88.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxypiperidin-1-yl)-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[2-(3-methoxypiperidin-1-yl)-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid (CID 72882110) is 2-[2-(3-methoxypiperidin-1-yl)-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[2-(3-methoxypiperidin-1-yl)-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[2-(3-methoxypiperidin-1-yl)-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid is COC1CCCN(c2ncc(C(C)(C)C(=O)O)c(N3CCOCC3)n2)C1.
What is the InChIKey of 2-[2-(3-methoxypiperidin-1-yl)-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid?
The InChIKey is HJPYYUNFDOTKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O4/c1-18(2,16(23)24)14-11-19-17(22-6-4-5-13(12-22)25-3)20-15(14)21-7-9-26-10-8-21/h11,13H,4-10,12H2,1-3H3,(H,23,24).
What are the key properties of 2-[2-(3-methoxypiperidin-1-yl)-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid?
2-[2-(3-methoxypiperidin-1-yl)-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid has a molecular weight of 364.45 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxypiperidin-1-yl)-4-morpholin-4-ylpyrimidin-5-yl]-2-methylpropanoic acid is sourced from PubChem (CID 72882110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).