1-[4-(7H-purin-6-yl)piperazin-1-yl]ethanone

C11H14N6O — CID 6625504

IUPAC1-[4-(7H-purin-6-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C11H14N6O/c1-8(18)16-2-4-17(5-3-16)11-9-10(13-6-12-9)14-7-15-11/h6-7H,2-5H2,1H3,(H,12,13,14,15)
InChIKeyOIUCEGDJGLMLBW-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.02
Rot. Bonds1

About 1-[4-(7H-purin-6-yl)piperazin-1-yl]ethanone

1-[4-(7H-purin-6-yl)piperazin-1-yl]ethanone (PubChem CID 6625504) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-[4-(7H-purin-6-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(7H-purin-6-yl)piperazin-1-yl]ethanone
PubChem CID6625504
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name1-[4-(7H-purin-6-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C11H14N6O/c1-8(18)16-2-4-17(5-3-16)11-9-10(13-6-12-9)14-7-15-11/h6-7H,2-5H2,1H3,(H,12,13,14,15)
InChIKeyOIUCEGDJGLMLBW-UHFFFAOYSA-N
XLogP0.02
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(7H-purin-6-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(7H-purin-6-yl)piperazin-1-yl]ethanone (CID 6625504) is 1-[4-(7H-purin-6-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(7H-purin-6-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(7H-purin-6-yl)piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ncnc3nc[nH]c23)CC1.
What is the InChIKey of 1-[4-(7H-purin-6-yl)piperazin-1-yl]ethanone?
The InChIKey is OIUCEGDJGLMLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c1-8(18)16-2-4-17(5-3-16)11-9-10(13-6-12-9)14-7-15-11/h6-7H,2-5H2,1H3,(H,12,13,14,15).
What are the key properties of 1-[4-(7H-purin-6-yl)piperazin-1-yl]ethanone?
1-[4-(7H-purin-6-yl)piperazin-1-yl]ethanone has a molecular weight of 246.27 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(7H-purin-6-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 6625504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).