1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidine-4-carboxylic acid

C11H14FN3O3 — CID 162376598

IUPAC1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidine-4-carboxylic acid
SMILESCOc1nc(N2CCC(C(=O)O)CC2)ncc1F
InChIInChI=1S/C11H14FN3O3/c1-18-9-8(12)6-13-11(14-9)15-4-2-7(3-5-15)10(16)17/h6-7H,2-5H2,1H3,(H,16,17)
InChIKeyOERPWSDGJMITEX-UHFFFAOYSA-N
MW255.25 g/mol
LogP0.93
Rot. Bonds3

About 1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidine-4-carboxylic acid

1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidine-4-carboxylic acid (PubChem CID 162376598) has the molecular formula C11H14FN3O3 and a molecular weight of 255.25 g/mol. Its IUPAC name is 1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidine-4-carboxylic acid
PubChem CID162376598
Molecular FormulaC11H14FN3O3
Molecular Weight255.25 g/mol
Exact Mass255.10
IUPAC Name1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidine-4-carboxylic acid
SMILESCOc1nc(N2CCC(C(=O)O)CC2)ncc1F
InChIInChI=1S/C11H14FN3O3/c1-18-9-8(12)6-13-11(14-9)15-4-2-7(3-5-15)10(16)17/h6-7H,2-5H2,1H3,(H,16,17)
InChIKeyOERPWSDGJMITEX-UHFFFAOYSA-N
XLogP0.93
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidine-4-carboxylic acid (CID 162376598) is 1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidine-4-carboxylic acid is COc1nc(N2CCC(C(=O)O)CC2)ncc1F.
What is the InChIKey of 1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidine-4-carboxylic acid?
The InChIKey is OERPWSDGJMITEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O3/c1-18-9-8(12)6-13-11(14-9)15-4-2-7(3-5-15)10(16)17/h6-7H,2-5H2,1H3,(H,16,17).
What are the key properties of 1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidine-4-carboxylic acid?
1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidine-4-carboxylic acid has a molecular weight of 255.25 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 162376598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).