ethyl 2-(2-piperidin-4-ylpyrimidin-5-yl)acetate

C13H19N3O2 — CID 165350016

IUPACethyl 2-(2-piperidin-4-ylpyrimidin-5-yl)acetate
SMILESCCOC(=O)Cc1cnc(C2CCNCC2)nc1
InChIInChI=1S/C13H19N3O2/c1-2-18-12(17)7-10-8-15-13(16-9-10)11-3-5-14-6-4-11/h8-9,11,14H,2-7H2,1H3
InChIKeyGGWUYTMGMZBBEH-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.05
Rot. Bonds4

About ethyl 2-(2-piperidin-4-ylpyrimidin-5-yl)acetate

ethyl 2-(2-piperidin-4-ylpyrimidin-5-yl)acetate (PubChem CID 165350016) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is ethyl 2-(2-piperidin-4-ylpyrimidin-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-piperidin-4-ylpyrimidin-5-yl)acetate
PubChem CID165350016
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Nameethyl 2-(2-piperidin-4-ylpyrimidin-5-yl)acetate
SMILESCCOC(=O)Cc1cnc(C2CCNCC2)nc1
InChIInChI=1S/C13H19N3O2/c1-2-18-12(17)7-10-8-15-13(16-9-10)11-3-5-14-6-4-11/h8-9,11,14H,2-7H2,1H3
InChIKeyGGWUYTMGMZBBEH-UHFFFAOYSA-N
XLogP1.05
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(2-piperidin-4-ylpyrimidin-5-yl)acetate 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 ethyl 2-(2-piperidin-4-ylpyrimidin-5-yl)acetate?
The IUPAC name of ethyl 2-(2-piperidin-4-ylpyrimidin-5-yl)acetate (CID 165350016) is ethyl 2-(2-piperidin-4-ylpyrimidin-5-yl)acetate.
What is the SMILES notation for ethyl 2-(2-piperidin-4-ylpyrimidin-5-yl)acetate?
The canonical SMILES for ethyl 2-(2-piperidin-4-ylpyrimidin-5-yl)acetate is CCOC(=O)Cc1cnc(C2CCNCC2)nc1.
What is the InChIKey of ethyl 2-(2-piperidin-4-ylpyrimidin-5-yl)acetate?
The InChIKey is GGWUYTMGMZBBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-18-12(17)7-10-8-15-13(16-9-10)11-3-5-14-6-4-11/h8-9,11,14H,2-7H2,1H3.
What are the key properties of ethyl 2-(2-piperidin-4-ylpyrimidin-5-yl)acetate?
ethyl 2-(2-piperidin-4-ylpyrimidin-5-yl)acetate has a molecular weight of 249.31 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-piperidin-4-ylpyrimidin-5-yl)acetate is sourced from PubChem (CID 165350016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).