(6-oxopiperazin-2-yl) acetate

C6H10N2O3 — CID 174447712

IUPAC(6-oxopiperazin-2-yl) acetate
SMILESCC(=O)OC1CNCC(=O)N1
InChIInChI=1S/C6H10N2O3/c1-4(9)11-6-3-7-2-5(10)8-6/h6-7H,2-3H2,1H3,(H,8,10)
InChIKeyCGWSSBSWFYFSTQ-UHFFFAOYSA-N
MW158.16 g/mol
LogP-1.40
Rot. Bonds1

About (6-oxopiperazin-2-yl) acetate

(6-oxopiperazin-2-yl) acetate (PubChem CID 174447712) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is (6-oxopiperazin-2-yl) acetate.

Molecular Properties

Compound Name(6-oxopiperazin-2-yl) acetate
PubChem CID174447712
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name(6-oxopiperazin-2-yl) acetate
SMILESCC(=O)OC1CNCC(=O)N1
InChIInChI=1S/C6H10N2O3/c1-4(9)11-6-3-7-2-5(10)8-6/h6-7H,2-3H2,1H3,(H,8,10)
InChIKeyCGWSSBSWFYFSTQ-UHFFFAOYSA-N
XLogP-1.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-oxopiperazin-2-yl) acetate?
The IUPAC name of (6-oxopiperazin-2-yl) acetate (CID 174447712) is (6-oxopiperazin-2-yl) acetate.
What is the SMILES notation for (6-oxopiperazin-2-yl) acetate?
The canonical SMILES for (6-oxopiperazin-2-yl) acetate is CC(=O)OC1CNCC(=O)N1.
What is the InChIKey of (6-oxopiperazin-2-yl) acetate?
The InChIKey is CGWSSBSWFYFSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3/c1-4(9)11-6-3-7-2-5(10)8-6/h6-7H,2-3H2,1H3,(H,8,10).
What are the key properties of (6-oxopiperazin-2-yl) acetate?
(6-oxopiperazin-2-yl) acetate has a molecular weight of 158.16 g/mol, XLogP of -1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-oxopiperazin-2-yl) acetate is sourced from PubChem (CID 174447712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).