1-(2-deuterio-4-ethyl-3-oxopiperazin-1-yl)-2,2-dimethylpentane-1,4-dione

C13H22N2O3 — CID 59958253

IUPAC1-(2-deuterio-4-ethyl-3-oxopiperazin-1-yl)-2,2-dimethylpentane-1,4-dione
SMILES[2H]C1C(=O)N(CC)CCN1C(=O)C(C)(C)CC(C)=O
InChIInChI=1S/C13H22N2O3/c1-5-14-6-7-15(9-11(14)17)12(18)13(3,4)8-10(2)16/h5-9H2,1-4H3/i9D
InChIKeyADGSLTPGMOHZMW-QOWOAITPSA-N
MW255.34 g/mol
LogP0.68
Rot. Bonds4

About 1-(2-deuterio-4-ethyl-3-oxopiperazin-1-yl)-2,2-dimethylpentane-1,4-dione

1-(2-deuterio-4-ethyl-3-oxopiperazin-1-yl)-2,2-dimethylpentane-1,4-dione (PubChem CID 59958253) has the molecular formula C13H22N2O3 and a molecular weight of 255.34 g/mol. Its IUPAC name is 1-(2-deuterio-4-ethyl-3-oxopiperazin-1-yl)-2,2-dimethylpentane-1,4-dione.

Molecular Properties

Compound Name1-(2-deuterio-4-ethyl-3-oxopiperazin-1-yl)-2,2-dimethylpentane-1,4-dione
PubChem CID59958253
Molecular FormulaC13H22N2O3
Molecular Weight255.34 g/mol
Exact Mass255.17
IUPAC Name1-(2-deuterio-4-ethyl-3-oxopiperazin-1-yl)-2,2-dimethylpentane-1,4-dione
SMILES[2H]C1C(=O)N(CC)CCN1C(=O)C(C)(C)CC(C)=O
InChIInChI=1S/C13H22N2O3/c1-5-14-6-7-15(9-11(14)17)12(18)13(3,4)8-10(2)16/h5-9H2,1-4H3/i9D
InChIKeyADGSLTPGMOHZMW-QOWOAITPSA-N
XLogP0.68
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-deuterio-4-ethyl-3-oxopiperazin-1-yl)-2,2-dimethylpentane-1,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-deuterio-4-ethyl-3-oxopiperazin-1-yl)-2,2-dimethylpentane-1,4-dione;ethane;methane
CID 160825155
4-(2,2-dimethylpropanoyl)-1-ethylpiperazin-2-one
CID 20660448
3-deuterio-1-ethyl-4-(2-methylpropanoyl)piperazin-2-one;ethanone;yttrium
CID 59958250
1-(azepan-1-yl)-2,2-dimethylbutan-1-one
CID 4631423
2,2-dimethyl-1-(3-methylazetidin-1-yl)butan-1-one
CID 127012089
1-(2,2-dimethylbutanoyl)pyrrolidine-2,5-dione
CID 118119759
2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]acetonitrile
CID 63336804
4-(2,2-dimethylbutanoyl)piperazin-2-one
CID 62848971
2,2-dimethyl-1-(4-methylsulfonylpiperazin-1-yl)butan-1-one
CID 118669191
1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylbutan-1-one
CID 63656391
4-(2,2-dimethylbutanoyl)piperazine-1-sulfonamide
CID 62677126
3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2,2-dimethylpropanehydrazide
CID 79630790

Frequently Asked Questions

What is the IUPAC name of 1-(2-deuterio-4-ethyl-3-oxopiperazin-1-yl)-2,2-dimethylpentane-1,4-dione?
The IUPAC name of 1-(2-deuterio-4-ethyl-3-oxopiperazin-1-yl)-2,2-dimethylpentane-1,4-dione (CID 59958253) is 1-(2-deuterio-4-ethyl-3-oxopiperazin-1-yl)-2,2-dimethylpentane-1,4-dione.
What is the SMILES notation for 1-(2-deuterio-4-ethyl-3-oxopiperazin-1-yl)-2,2-dimethylpentane-1,4-dione?
The canonical SMILES for 1-(2-deuterio-4-ethyl-3-oxopiperazin-1-yl)-2,2-dimethylpentane-1,4-dione is [2H]C1C(=O)N(CC)CCN1C(=O)C(C)(C)CC(C)=O.
What is the InChIKey of 1-(2-deuterio-4-ethyl-3-oxopiperazin-1-yl)-2,2-dimethylpentane-1,4-dione?
The InChIKey is ADGSLTPGMOHZMW-QOWOAITPSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-5-14-6-7-15(9-11(14)17)12(18)13(3,4)8-10(2)16/h5-9H2,1-4H3/i9D.
What are the key properties of 1-(2-deuterio-4-ethyl-3-oxopiperazin-1-yl)-2,2-dimethylpentane-1,4-dione?
1-(2-deuterio-4-ethyl-3-oxopiperazin-1-yl)-2,2-dimethylpentane-1,4-dione has a molecular weight of 255.34 g/mol, XLogP of 0.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-deuterio-4-ethyl-3-oxopiperazin-1-yl)-2,2-dimethylpentane-1,4-dione is sourced from PubChem (CID 59958253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).