(2-ethyl-3-oxopiperazin-1-yl) 2,2-dimethylpropanoate

C11H20N2O3 — CID 174596328

IUPAC(2-ethyl-3-oxopiperazin-1-yl) 2,2-dimethylpropanoate
SMILESCCC1C(=O)NCCN1OC(=O)C(C)(C)C
InChIInChI=1S/C11H20N2O3/c1-5-8-9(14)12-6-7-13(8)16-10(15)11(2,3)4/h8H,5-7H2,1-4H3,(H,12,14)
InChIKeyXHUOHUDPLYUUNM-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.70
Rot. Bonds2

About (2-ethyl-3-oxopiperazin-1-yl) 2,2-dimethylpropanoate

(2-ethyl-3-oxopiperazin-1-yl) 2,2-dimethylpropanoate (PubChem CID 174596328) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is (2-ethyl-3-oxopiperazin-1-yl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(2-ethyl-3-oxopiperazin-1-yl) 2,2-dimethylpropanoate
PubChem CID174596328
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name(2-ethyl-3-oxopiperazin-1-yl) 2,2-dimethylpropanoate
SMILESCCC1C(=O)NCCN1OC(=O)C(C)(C)C
InChIInChI=1S/C11H20N2O3/c1-5-8-9(14)12-6-7-13(8)16-10(15)11(2,3)4/h8H,5-7H2,1-4H3,(H,12,14)
InChIKeyXHUOHUDPLYUUNM-UHFFFAOYSA-N
XLogP0.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,3-dimethyl-2-oxobutyl)-3-ethylpiperazin-2-one
CID 63600469
2-(2-ethyl-3-oxopiperazin-1-yl)acetic acid
CID 63600273
3-ethyl-4-(2-oxopropyl)piperazin-2-one
CID 63600634
4-(1-amino-2-methylpropan-2-yl)-3-ethylpiperazin-2-one
CID 104523184
2,2,2-trifluoroethyl 2-ethyl-3-oxopiperazine-1-carboxylate
CID 63661158
4-(2-amino-2-methylpropyl)-3-ethylpiperazin-2-one;hydrochloride
CID 131089454
2-(2-ethyl-3-oxopiperazin-1-yl)propanoic acid
CID 63602723
ethyl 2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoacetate
CID 63603542
(3S)-3-ethyl-4-(3-piperidin-4-ylpropanoyl)piperazin-2-one
CID 124559943
3-ethyl-4-(3-methylsulfonylpropanoyl)piperazin-2-one
CID 63600127
4-(2-aminopentanoyl)-3-ethylpiperazin-2-one
CID 63602807
3-ethyl-4-(3-methyl-2-propan-2-ylbutanoyl)piperazin-2-one
CID 114282285

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-3-oxopiperazin-1-yl) 2,2-dimethylpropanoate?
The IUPAC name of (2-ethyl-3-oxopiperazin-1-yl) 2,2-dimethylpropanoate (CID 174596328) is (2-ethyl-3-oxopiperazin-1-yl) 2,2-dimethylpropanoate.
What is the SMILES notation for (2-ethyl-3-oxopiperazin-1-yl) 2,2-dimethylpropanoate?
The canonical SMILES for (2-ethyl-3-oxopiperazin-1-yl) 2,2-dimethylpropanoate is CCC1C(=O)NCCN1OC(=O)C(C)(C)C.
What is the InChIKey of (2-ethyl-3-oxopiperazin-1-yl) 2,2-dimethylpropanoate?
The InChIKey is XHUOHUDPLYUUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-5-8-9(14)12-6-7-13(8)16-10(15)11(2,3)4/h8H,5-7H2,1-4H3,(H,12,14).
What are the key properties of (2-ethyl-3-oxopiperazin-1-yl) 2,2-dimethylpropanoate?
(2-ethyl-3-oxopiperazin-1-yl) 2,2-dimethylpropanoate has a molecular weight of 228.29 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-3-oxopiperazin-1-yl) 2,2-dimethylpropanoate is sourced from PubChem (CID 174596328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).