1-[2-(2-oxopiperazin-1-yl)ethyl]piperazin-2-one

C10H18N4O2 — CID 21114083

IUPAC1-[2-(2-oxopiperazin-1-yl)ethyl]piperazin-2-one
SMILESO=C1CNCCN1CCN1CCNCC1=O
InChIInChI=1S/C10H18N4O2/c15-9-7-11-1-3-13(9)5-6-14-4-2-12-8-10(14)16/h11-12H,1-8H2
InChIKeyGWLHJXOJCLPFLV-UHFFFAOYSA-N
MW226.28 g/mol
LogP-2.15
Rot. Bonds3

About 1-[2-(2-oxopiperazin-1-yl)ethyl]piperazin-2-one

1-[2-(2-oxopiperazin-1-yl)ethyl]piperazin-2-one (PubChem CID 21114083) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-[2-(2-oxopiperazin-1-yl)ethyl]piperazin-2-one.

Molecular Properties

Compound Name1-[2-(2-oxopiperazin-1-yl)ethyl]piperazin-2-one
PubChem CID21114083
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name1-[2-(2-oxopiperazin-1-yl)ethyl]piperazin-2-one
SMILESO=C1CNCCN1CCN1CCNCC1=O
InChIInChI=1S/C10H18N4O2/c15-9-7-11-1-3-13(9)5-6-14-4-2-12-8-10(14)16/h11-12H,1-8H2
InChIKeyGWLHJXOJCLPFLV-UHFFFAOYSA-N
XLogP-2.15
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-2.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-oxopiperazin-1-yl)ethyl]piperazin-2-one?
The IUPAC name of 1-[2-(2-oxopiperazin-1-yl)ethyl]piperazin-2-one (CID 21114083) is 1-[2-(2-oxopiperazin-1-yl)ethyl]piperazin-2-one.
What is the SMILES notation for 1-[2-(2-oxopiperazin-1-yl)ethyl]piperazin-2-one?
The canonical SMILES for 1-[2-(2-oxopiperazin-1-yl)ethyl]piperazin-2-one is O=C1CNCCN1CCN1CCNCC1=O.
What is the InChIKey of 1-[2-(2-oxopiperazin-1-yl)ethyl]piperazin-2-one?
The InChIKey is GWLHJXOJCLPFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c15-9-7-11-1-3-13(9)5-6-14-4-2-12-8-10(14)16/h11-12H,1-8H2.
What are the key properties of 1-[2-(2-oxopiperazin-1-yl)ethyl]piperazin-2-one?
1-[2-(2-oxopiperazin-1-yl)ethyl]piperazin-2-one has a molecular weight of 226.28 g/mol, XLogP of -2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-oxopiperazin-1-yl)ethyl]piperazin-2-one is sourced from PubChem (CID 21114083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).