methyl 1-(5-ethylpyrimidin-2-yl)piperidine-4-carboxylate

C13H19N3O2 — CID 68785941

IUPACmethyl 1-(5-ethylpyrimidin-2-yl)piperidine-4-carboxylate
SMILESCCc1cnc(N2CCC(C(=O)OC)CC2)nc1
InChIInChI=1S/C13H19N3O2/c1-3-10-8-14-13(15-9-10)16-6-4-11(5-7-16)12(17)18-2/h8-9,11H,3-7H2,1-2H3
InChIKeyOQPUDISWPDFBLC-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.43
Rot. Bonds3

About methyl 1-(5-ethylpyrimidin-2-yl)piperidine-4-carboxylate

methyl 1-(5-ethylpyrimidin-2-yl)piperidine-4-carboxylate (PubChem CID 68785941) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 1-(5-ethylpyrimidin-2-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-ethylpyrimidin-2-yl)piperidine-4-carboxylate
PubChem CID68785941
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Namemethyl 1-(5-ethylpyrimidin-2-yl)piperidine-4-carboxylate
SMILESCCc1cnc(N2CCC(C(=O)OC)CC2)nc1
InChIInChI=1S/C13H19N3O2/c1-3-10-8-14-13(15-9-10)16-6-4-11(5-7-16)12(17)18-2/h8-9,11H,3-7H2,1-2H3
InChIKeyOQPUDISWPDFBLC-UHFFFAOYSA-N
XLogP1.43
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-ethylpyrimidin-2-yl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(5-ethylpyrimidin-2-yl)piperidine-4-carboxylate (CID 68785941) is methyl 1-(5-ethylpyrimidin-2-yl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(5-ethylpyrimidin-2-yl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(5-ethylpyrimidin-2-yl)piperidine-4-carboxylate is CCc1cnc(N2CCC(C(=O)OC)CC2)nc1.
What is the InChIKey of methyl 1-(5-ethylpyrimidin-2-yl)piperidine-4-carboxylate?
The InChIKey is OQPUDISWPDFBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-10-8-14-13(15-9-10)16-6-4-11(5-7-16)12(17)18-2/h8-9,11H,3-7H2,1-2H3.
What are the key properties of methyl 1-(5-ethylpyrimidin-2-yl)piperidine-4-carboxylate?
methyl 1-(5-ethylpyrimidin-2-yl)piperidine-4-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-ethylpyrimidin-2-yl)piperidine-4-carboxylate is sourced from PubChem (CID 68785941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).