ethyl 2-(2,5-dioxo-4-propylpiperazin-1-yl)acetate

C11H18N2O4 — CID 79937200

IUPACethyl 2-(2,5-dioxo-4-propylpiperazin-1-yl)acetate
SMILESCCCN1CC(=O)N(CC(=O)OCC)CC1=O
InChIInChI=1S/C11H18N2O4/c1-3-5-12-6-10(15)13(7-9(12)14)8-11(16)17-4-2/h3-8H2,1-2H3
InChIKeyMIOARWSWUPGCCV-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.37
Rot. Bonds5

About ethyl 2-(2,5-dioxo-4-propylpiperazin-1-yl)acetate

ethyl 2-(2,5-dioxo-4-propylpiperazin-1-yl)acetate (PubChem CID 79937200) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is ethyl 2-(2,5-dioxo-4-propylpiperazin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,5-dioxo-4-propylpiperazin-1-yl)acetate
PubChem CID79937200
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Nameethyl 2-(2,5-dioxo-4-propylpiperazin-1-yl)acetate
SMILESCCCN1CC(=O)N(CC(=O)OCC)CC1=O
InChIInChI=1S/C11H18N2O4/c1-3-5-12-6-10(15)13(7-9(12)14)8-11(16)17-4-2/h3-8H2,1-2H3
InChIKeyMIOARWSWUPGCCV-UHFFFAOYSA-N
XLogP-0.37
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2,5-dioxo-4-propylpiperazin-1-yl)acetate
CID 79936130
1-(2-oxopentyl)-4-propylpiperazine-2,5-dione
CID 79941384
1-(3,3-dimethyl-2-oxobutyl)-4-propylpiperazine-2,5-dione
CID 79942486
ethyl 2-[3-(2-ethoxy-2-oxoethyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate
CID 154108314
4-(2,5-dioxo-4-propylpiperazin-1-yl)-3-methylbut-2-enoic acid
CID 79936010
2-amino-3-(2,5-dioxo-4-propylpiperazin-1-yl)propanoic acid
CID 79936689
ethyl 4-(4-ethyl-2,5-dioxopiperazin-1-yl)-3-hydroxybutanoate
CID 82778065
ethyl 2-(4-amino-2-oxopyrrolidin-1-yl)acetate
CID 53396184
ethyl 2-(4-methyl-3-oxopiperazin-1-yl)acetate
CID 64693243
1-(2-oxo-3-phenylpropyl)-4-propylpiperazine-2,5-dione
CID 79936892
1-[2-(4-iodophenyl)-2-oxoethyl]-4-propylpiperazine-2,5-dione
CID 79936681
ethyl 2-(3-benzyl-2,4-dioxoimidazolidin-1-yl)acetate
CID 70099670

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,5-dioxo-4-propylpiperazin-1-yl)acetate?
The IUPAC name of ethyl 2-(2,5-dioxo-4-propylpiperazin-1-yl)acetate (CID 79937200) is ethyl 2-(2,5-dioxo-4-propylpiperazin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(2,5-dioxo-4-propylpiperazin-1-yl)acetate?
The canonical SMILES for ethyl 2-(2,5-dioxo-4-propylpiperazin-1-yl)acetate is CCCN1CC(=O)N(CC(=O)OCC)CC1=O.
What is the InChIKey of ethyl 2-(2,5-dioxo-4-propylpiperazin-1-yl)acetate?
The InChIKey is MIOARWSWUPGCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-3-5-12-6-10(15)13(7-9(12)14)8-11(16)17-4-2/h3-8H2,1-2H3.
What are the key properties of ethyl 2-(2,5-dioxo-4-propylpiperazin-1-yl)acetate?
ethyl 2-(2,5-dioxo-4-propylpiperazin-1-yl)acetate has a molecular weight of 242.27 g/mol, XLogP of -0.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,5-dioxo-4-propylpiperazin-1-yl)acetate is sourced from PubChem (CID 79937200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).