1-(5-fluoropyrimidin-2-yl)-4-methoxypiperidine-4-carboxylic acid

C11H14FN3O3 — CID 142476002

IUPAC1-(5-fluoropyrimidin-2-yl)-4-methoxypiperidine-4-carboxylic acid
SMILESCOC1(C(=O)O)CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C11H14FN3O3/c1-18-11(9(16)17)2-4-15(5-3-11)10-13-6-8(12)7-14-10/h6-7H,2-5H2,1H3,(H,16,17)
InChIKeyJVSSFYAEUVCCAF-UHFFFAOYSA-N
MW255.25 g/mol
LogP0.69
Rot. Bonds3

About 1-(5-fluoropyrimidin-2-yl)-4-methoxypiperidine-4-carboxylic acid

1-(5-fluoropyrimidin-2-yl)-4-methoxypiperidine-4-carboxylic acid (PubChem CID 142476002) has the molecular formula C11H14FN3O3 and a molecular weight of 255.25 g/mol. Its IUPAC name is 1-(5-fluoropyrimidin-2-yl)-4-methoxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-fluoropyrimidin-2-yl)-4-methoxypiperidine-4-carboxylic acid
PubChem CID142476002
Molecular FormulaC11H14FN3O3
Molecular Weight255.25 g/mol
Exact Mass255.10
IUPAC Name1-(5-fluoropyrimidin-2-yl)-4-methoxypiperidine-4-carboxylic acid
SMILESCOC1(C(=O)O)CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C11H14FN3O3/c1-18-11(9(16)17)2-4-15(5-3-11)10-13-6-8(12)7-14-10/h6-7H,2-5H2,1H3,(H,16,17)
InChIKeyJVSSFYAEUVCCAF-UHFFFAOYSA-N
XLogP0.69
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 ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(5-fluoropyrimidin-2-yl)-4-methoxypiperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropyrimidin-2-yl)-4-methoxypiperidine-4-carboxylic acid?
The IUPAC name of 1-(5-fluoropyrimidin-2-yl)-4-methoxypiperidine-4-carboxylic acid (CID 142476002) is 1-(5-fluoropyrimidin-2-yl)-4-methoxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-fluoropyrimidin-2-yl)-4-methoxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-fluoropyrimidin-2-yl)-4-methoxypiperidine-4-carboxylic acid is COC1(C(=O)O)CCN(c2ncc(F)cn2)CC1.
What is the InChIKey of 1-(5-fluoropyrimidin-2-yl)-4-methoxypiperidine-4-carboxylic acid?
The InChIKey is JVSSFYAEUVCCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O3/c1-18-11(9(16)17)2-4-15(5-3-11)10-13-6-8(12)7-14-10/h6-7H,2-5H2,1H3,(H,16,17).
What are the key properties of 1-(5-fluoropyrimidin-2-yl)-4-methoxypiperidine-4-carboxylic acid?
1-(5-fluoropyrimidin-2-yl)-4-methoxypiperidine-4-carboxylic acid has a molecular weight of 255.25 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoropyrimidin-2-yl)-4-methoxypiperidine-4-carboxylic acid is sourced from PubChem (CID 142476002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).