1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid

C14H19FN4O4 — CID 56872934

IUPAC1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid
SMILESO=C(O)C1(O)CCN(c2ncc(F)c(N3CCOCC3)n2)CC1
InChIInChI=1S/C14H19FN4O4/c15-10-9-16-13(17-11(10)18-5-7-23-8-6-18)19-3-1-14(22,2-4-19)12(20)21/h9,22H,1-8H2,(H,20,21)
InChIKeyYSFIPRCMDSXBNZ-UHFFFAOYSA-N
MW326.33 g/mol
LogP-0.13
Rot. Bonds3

About 1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid

1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid (PubChem CID 56872934) has the molecular formula C14H19FN4O4 and a molecular weight of 326.33 g/mol. Its IUPAC name is 1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid
PubChem CID56872934
Molecular FormulaC14H19FN4O4
Molecular Weight326.33 g/mol
Exact Mass326.14
IUPAC Name1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid
SMILESO=C(O)C1(O)CCN(c2ncc(F)c(N3CCOCC3)n2)CC1
InChIInChI=1S/C14H19FN4O4/c15-10-9-16-13(17-11(10)18-5-7-23-8-6-18)19-3-1-14(22,2-4-19)12(20)21/h9,22H,1-8H2,(H,20,21)
InChIKeyYSFIPRCMDSXBNZ-UHFFFAOYSA-N
XLogP-0.13
TPSA99.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid?
The IUPAC name of 1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid (CID 56872934) is 1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid is O=C(O)C1(O)CCN(c2ncc(F)c(N3CCOCC3)n2)CC1.
What is the InChIKey of 1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid?
The InChIKey is YSFIPRCMDSXBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O4/c15-10-9-16-13(17-11(10)18-5-7-23-8-6-18)19-3-1-14(22,2-4-19)12(20)21/h9,22H,1-8H2,(H,20,21).
What are the key properties of 1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid?
1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid has a molecular weight of 326.33 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid is sourced from PubChem (CID 56872934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).