ethyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoate

C15H24N4O2 — CID 78964151

IUPACethyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoate
SMILESCCCC(C(=O)OCC)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H24N4O2/c1-3-6-13(14(20)21-4-2)18-9-11-19(12-10-18)15-16-7-5-8-17-15/h5,7-8,13H,3-4,6,9-12H2,1-2H3
InChIKeyCAZNEKHBOCNLLR-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.33
Rot. Bonds6

About ethyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoate

ethyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoate (PubChem CID 78964151) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoate.

Molecular Properties

Compound Nameethyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoate
PubChem CID78964151
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Nameethyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoate
SMILESCCCC(C(=O)OCC)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H24N4O2/c1-3-6-13(14(20)21-4-2)18-9-11-19(12-10-18)15-16-7-5-8-17-15/h5,7-8,13H,3-4,6,9-12H2,1-2H3
InChIKeyCAZNEKHBOCNLLR-UHFFFAOYSA-N
XLogP1.33
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-one
CID 43650100
ethyl 2-(4-methylpiperazin-1-yl)pentanoate
CID 78964984
ethyl 2-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate
CID 64662976
ethyl 4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazine-1-carboxylate
CID 108531691
ethyl 2-thiomorpholin-4-ylpentanoate
CID 78964920
2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)hexan-1-one
CID 60854019
ethyl 2-(4-methylsulfonylpiperazin-1-yl)pentanoate
CID 78964963
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)hexanamide
CID 32688103
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)hexanamide
CID 47019529
ethyl (2R)-2-(4-hydroxypiperidin-1-yl)pentanoate
CID 95346550
3-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine
CID 43367610
methyl 3-(4-pyrimidin-2-ylpiperazin-1-yl)butanoate
CID 43537360

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoate?
The IUPAC name of ethyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoate (CID 78964151) is ethyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoate.
What is the SMILES notation for ethyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoate?
The canonical SMILES for ethyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoate is CCCC(C(=O)OCC)N1CCN(c2ncccn2)CC1.
What is the InChIKey of ethyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoate?
The InChIKey is CAZNEKHBOCNLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-6-13(14(20)21-4-2)18-9-11-19(12-10-18)15-16-7-5-8-17-15/h5,7-8,13H,3-4,6,9-12H2,1-2H3.
What are the key properties of ethyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoate?
ethyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoate has a molecular weight of 292.38 g/mol, XLogP of 1.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoate is sourced from PubChem (CID 78964151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).