3-ethyl-1-(4-methoxypyrimidin-2-yl)piperidine-3-carboxylic acid

C13H19N3O3 — CID 55165504

IUPAC3-ethyl-1-(4-methoxypyrimidin-2-yl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(c2nccc(OC)n2)C1
InChIInChI=1S/C13H19N3O3/c1-3-13(11(17)18)6-4-8-16(9-13)12-14-7-5-10(15-12)19-2/h5,7H,3-4,6,8-9H2,1-2H3,(H,17,18)
InChIKeyXNZFIRRNJDWOPO-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.57
Rot. Bonds4

About 3-ethyl-1-(4-methoxypyrimidin-2-yl)piperidine-3-carboxylic acid

3-ethyl-1-(4-methoxypyrimidin-2-yl)piperidine-3-carboxylic acid (PubChem CID 55165504) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-ethyl-1-(4-methoxypyrimidin-2-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(4-methoxypyrimidin-2-yl)piperidine-3-carboxylic acid
PubChem CID55165504
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-ethyl-1-(4-methoxypyrimidin-2-yl)piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(c2nccc(OC)n2)C1
InChIInChI=1S/C13H19N3O3/c1-3-13(11(17)18)6-4-8-16(9-13)12-14-7-5-10(15-12)19-2/h5,7H,3-4,6,8-9H2,1-2H3,(H,17,18)
InChIKeyXNZFIRRNJDWOPO-UHFFFAOYSA-N
XLogP1.57
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-methoxypyrimidin-2-yl)piperidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(4-methoxypyrimidin-2-yl)piperidine-3-carboxylic acid (CID 55165504) is 3-ethyl-1-(4-methoxypyrimidin-2-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(4-methoxypyrimidin-2-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(4-methoxypyrimidin-2-yl)piperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(c2nccc(OC)n2)C1.
What is the InChIKey of 3-ethyl-1-(4-methoxypyrimidin-2-yl)piperidine-3-carboxylic acid?
The InChIKey is XNZFIRRNJDWOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-13(11(17)18)6-4-8-16(9-13)12-14-7-5-10(15-12)19-2/h5,7H,3-4,6,8-9H2,1-2H3,(H,17,18).
What are the key properties of 3-ethyl-1-(4-methoxypyrimidin-2-yl)piperidine-3-carboxylic acid?
3-ethyl-1-(4-methoxypyrimidin-2-yl)piperidine-3-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(4-methoxypyrimidin-2-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 55165504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).