ethyl 2-(3-oxo-4-propylpiperazin-2-yl)acetate

C11H20N2O3 — CID 70915114

IUPACethyl 2-(3-oxo-4-propylpiperazin-2-yl)acetate
SMILESCCCN1CCNC(CC(=O)OCC)C1=O
InChIInChI=1S/C11H20N2O3/c1-3-6-13-7-5-12-9(11(13)15)8-10(14)16-4-2/h9,12H,3-8H2,1-2H3
InChIKeyQXQOFMJPCAKIIN-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.15
Rot. Bonds5

About ethyl 2-(3-oxo-4-propylpiperazin-2-yl)acetate

ethyl 2-(3-oxo-4-propylpiperazin-2-yl)acetate (PubChem CID 70915114) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is ethyl 2-(3-oxo-4-propylpiperazin-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-oxo-4-propylpiperazin-2-yl)acetate
PubChem CID70915114
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Nameethyl 2-(3-oxo-4-propylpiperazin-2-yl)acetate
SMILESCCCN1CCNC(CC(=O)OCC)C1=O
InChIInChI=1S/C11H20N2O3/c1-3-6-13-7-5-12-9(11(13)15)8-10(14)16-4-2/h9,12H,3-8H2,1-2H3
InChIKeyQXQOFMJPCAKIIN-UHFFFAOYSA-N
XLogP0.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-oxo-4-propylpiperazin-2-yl)acetate?
The IUPAC name of ethyl 2-(3-oxo-4-propylpiperazin-2-yl)acetate (CID 70915114) is ethyl 2-(3-oxo-4-propylpiperazin-2-yl)acetate.
What is the SMILES notation for ethyl 2-(3-oxo-4-propylpiperazin-2-yl)acetate?
The canonical SMILES for ethyl 2-(3-oxo-4-propylpiperazin-2-yl)acetate is CCCN1CCNC(CC(=O)OCC)C1=O.
What is the InChIKey of ethyl 2-(3-oxo-4-propylpiperazin-2-yl)acetate?
The InChIKey is QXQOFMJPCAKIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-6-13-7-5-12-9(11(13)15)8-10(14)16-4-2/h9,12H,3-8H2,1-2H3.
What are the key properties of ethyl 2-(3-oxo-4-propylpiperazin-2-yl)acetate?
ethyl 2-(3-oxo-4-propylpiperazin-2-yl)acetate has a molecular weight of 228.29 g/mol, XLogP of 0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-oxo-4-propylpiperazin-2-yl)acetate is sourced from PubChem (CID 70915114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).