4-(4-ethyl-3-methylpiperazin-1-yl)-2,2-dimethyl-4-oxobutanoic acid

C13H24N2O3 — CID 65300311

IUPAC4-(4-ethyl-3-methylpiperazin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
SMILESCCN1CCN(C(=O)CC(C)(C)C(=O)O)CC1C
InChIInChI=1S/C13H24N2O3/c1-5-14-6-7-15(9-10(14)2)11(16)8-13(3,4)12(17)18/h10H,5-9H2,1-4H3,(H,17,18)
InChIKeyDFKQYNXJAQPVLW-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.04
Rot. Bonds4

About 4-(4-ethyl-3-methylpiperazin-1-yl)-2,2-dimethyl-4-oxobutanoic acid

4-(4-ethyl-3-methylpiperazin-1-yl)-2,2-dimethyl-4-oxobutanoic acid (PubChem CID 65300311) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-(4-ethyl-3-methylpiperazin-1-yl)-2,2-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(4-ethyl-3-methylpiperazin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
PubChem CID65300311
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name4-(4-ethyl-3-methylpiperazin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
SMILESCCN1CCN(C(=O)CC(C)(C)C(=O)O)CC1C
InChIInChI=1S/C13H24N2O3/c1-5-14-6-7-15(9-10(14)2)11(16)8-13(3,4)12(17)18/h10H,5-9H2,1-4H3,(H,17,18)
InChIKeyDFKQYNXJAQPVLW-UHFFFAOYSA-N
XLogP1.04
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-ethyl-3-methylpiperazin-1-yl)-2,2-dimethyl-4-oxobutanoic acid 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

2-(tert-butylamino)-1-(4-ethyl-3-methylpiperazin-1-yl)ethanone
CID 79256800
1-(4-ethyl-3-methylpiperazin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112605165
3-(4-ethyl-3-methylpiperazin-1-yl)-2,2-dimethylpropanoic acid
CID 63621092
2-ethoxy-1-(4-ethyl-3-methylpiperazin-1-yl)ethanone
CID 64590973
4-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 66002052
2-[1-[2-(4-ethyl-3-methylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 63610859
4-amino-1-(4-ethyl-3-methylpiperazin-1-yl)butan-1-one
CID 63634215
2-(ethylamino)-1-(4-ethyl-3-methylpiperazin-1-yl)-2-methylpropan-1-one
CID 63635973
4-(3-tert-butylpyrrolidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 113417042
1-(4-ethyl-3-methylpiperazin-1-yl)-2-propoxyethanone
CID 103846848
4-(3-methoxypyrrolidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 103531279
4-(4-ethyl-3-methylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783355

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-3-methylpiperazin-1-yl)-2,2-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-(4-ethyl-3-methylpiperazin-1-yl)-2,2-dimethyl-4-oxobutanoic acid (CID 65300311) is 4-(4-ethyl-3-methylpiperazin-1-yl)-2,2-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-(4-ethyl-3-methylpiperazin-1-yl)-2,2-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-(4-ethyl-3-methylpiperazin-1-yl)-2,2-dimethyl-4-oxobutanoic acid is CCN1CCN(C(=O)CC(C)(C)C(=O)O)CC1C.
What is the InChIKey of 4-(4-ethyl-3-methylpiperazin-1-yl)-2,2-dimethyl-4-oxobutanoic acid?
The InChIKey is DFKQYNXJAQPVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-5-14-6-7-15(9-10(14)2)11(16)8-13(3,4)12(17)18/h10H,5-9H2,1-4H3,(H,17,18).
What are the key properties of 4-(4-ethyl-3-methylpiperazin-1-yl)-2,2-dimethyl-4-oxobutanoic acid?
4-(4-ethyl-3-methylpiperazin-1-yl)-2,2-dimethyl-4-oxobutanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-3-methylpiperazin-1-yl)-2,2-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 65300311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).