[(1R)-1-(4-piperazin-1-ylpyrimidin-2-yl)ethyl] butanoate

C14H22N4O2 — CID 15552198

IUPAC[(1R)-1-(4-piperazin-1-ylpyrimidin-2-yl)ethyl] butanoate
SMILESCCCC(=O)O[C@H](C)c1nccc(N2CCNCC2)n1
InChIInChI=1S/C14H22N4O2/c1-3-4-13(19)20-11(2)14-16-6-5-12(17-14)18-9-7-15-8-10-18/h5-6,11,15H,3-4,7-10H2,1-2H3/t11-/m1/s1
InChIKeyKRDGYAPRPLVGJI-LLVKDONJSA-N
MW278.36 g/mol
LogP1.29
Rot. Bonds5

About [(1R)-1-(4-piperazin-1-ylpyrimidin-2-yl)ethyl] butanoate

[(1R)-1-(4-piperazin-1-ylpyrimidin-2-yl)ethyl] butanoate (PubChem CID 15552198) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is [(1R)-1-(4-piperazin-1-ylpyrimidin-2-yl)ethyl] butanoate.

Molecular Properties

Compound Name[(1R)-1-(4-piperazin-1-ylpyrimidin-2-yl)ethyl] butanoate
PubChem CID15552198
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name[(1R)-1-(4-piperazin-1-ylpyrimidin-2-yl)ethyl] butanoate
SMILESCCCC(=O)O[C@H](C)c1nccc(N2CCNCC2)n1
InChIInChI=1S/C14H22N4O2/c1-3-4-13(19)20-11(2)14-16-6-5-12(17-14)18-9-7-15-8-10-18/h5-6,11,15H,3-4,7-10H2,1-2H3/t11-/m1/s1
InChIKeyKRDGYAPRPLVGJI-LLVKDONJSA-N
XLogP1.29
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-piperazin-1-ylpyrimidin-2-yl)ethyl] butanoate?
The IUPAC name of [(1R)-1-(4-piperazin-1-ylpyrimidin-2-yl)ethyl] butanoate (CID 15552198) is [(1R)-1-(4-piperazin-1-ylpyrimidin-2-yl)ethyl] butanoate.
What is the SMILES notation for [(1R)-1-(4-piperazin-1-ylpyrimidin-2-yl)ethyl] butanoate?
The canonical SMILES for [(1R)-1-(4-piperazin-1-ylpyrimidin-2-yl)ethyl] butanoate is CCCC(=O)O[C@H](C)c1nccc(N2CCNCC2)n1.
What is the InChIKey of [(1R)-1-(4-piperazin-1-ylpyrimidin-2-yl)ethyl] butanoate?
The InChIKey is KRDGYAPRPLVGJI-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-4-13(19)20-11(2)14-16-6-5-12(17-14)18-9-7-15-8-10-18/h5-6,11,15H,3-4,7-10H2,1-2H3/t11-/m1/s1.
What are the key properties of [(1R)-1-(4-piperazin-1-ylpyrimidin-2-yl)ethyl] butanoate?
[(1R)-1-(4-piperazin-1-ylpyrimidin-2-yl)ethyl] butanoate has a molecular weight of 278.36 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-piperazin-1-ylpyrimidin-2-yl)ethyl] butanoate is sourced from PubChem (CID 15552198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).