2-(2-methoxyethyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid

C13H19N3O3 — CID 53214925

IUPAC2-(2-methoxyethyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
SMILESCOCCc1ncc(C(=O)O)c(N2CCCCC2)n1
InChIInChI=1S/C13H19N3O3/c1-19-8-5-11-14-9-10(13(17)18)12(15-11)16-6-3-2-4-7-16/h9H,2-8H2,1H3,(H,17,18)
InChIKeyYDEHLLTWIWJOLP-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.35
Rot. Bonds5

About 2-(2-methoxyethyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid

2-(2-methoxyethyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid (PubChem CID 53214925) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxyethyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
PubChem CID53214925
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-(2-methoxyethyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
SMILESCOCCc1ncc(C(=O)O)c(N2CCCCC2)n1
InChIInChI=1S/C13H19N3O3/c1-19-8-5-11-14-9-10(13(17)18)12(15-11)16-6-3-2-4-7-16/h9H,2-8H2,1H3,(H,17,18)
InChIKeyYDEHLLTWIWJOLP-UHFFFAOYSA-N
XLogP1.35
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-(2-methoxyethyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid (CID 53214925) is 2-(2-methoxyethyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(2-methoxyethyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(2-methoxyethyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid is COCCc1ncc(C(=O)O)c(N2CCCCC2)n1.
What is the InChIKey of 2-(2-methoxyethyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid?
The InChIKey is YDEHLLTWIWJOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-19-8-5-11-14-9-10(13(17)18)12(15-11)16-6-3-2-4-7-16/h9H,2-8H2,1H3,(H,17,18).
What are the key properties of 2-(2-methoxyethyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid?
2-(2-methoxyethyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 53214925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).