2-[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid

C13H19N3O4 — CID 136958930

IUPAC2-[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid
SMILESCCc1nc(N2CCC(OCC(=O)O)CC2)cc(=O)[nH]1
InChIInChI=1S/C13H19N3O4/c1-2-10-14-11(7-12(17)15-10)16-5-3-9(4-6-16)20-8-13(18)19/h7,9H,2-6,8H2,1H3,(H,18,19)(H,14,15,17)
InChIKeyXFICBDGYJRCMLM-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.40
Rot. Bonds5

About 2-[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid

2-[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid (PubChem CID 136958930) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid
PubChem CID136958930
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid
SMILESCCc1nc(N2CCC(OCC(=O)O)CC2)cc(=O)[nH]1
InChIInChI=1S/C13H19N3O4/c1-2-10-14-11(7-12(17)15-10)16-5-3-9(4-6-16)20-8-13(18)19/h7,9H,2-6,8H2,1H3,(H,18,19)(H,14,15,17)
InChIKeyXFICBDGYJRCMLM-UHFFFAOYSA-N
XLogP0.40
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxyacetic 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 2-[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid (CID 136958930) is 2-[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid is CCc1nc(N2CCC(OCC(=O)O)CC2)cc(=O)[nH]1.
What is the InChIKey of 2-[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid?
The InChIKey is XFICBDGYJRCMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-2-10-14-11(7-12(17)15-10)16-5-3-9(4-6-16)20-8-13(18)19/h7,9H,2-6,8H2,1H3,(H,18,19)(H,14,15,17).
What are the key properties of 2-[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid?
2-[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid has a molecular weight of 281.31 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 136958930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).