trimethyl-[2-oxo-2-[4-(2,2,3,3-tetramethylbutanoyl)piperazin-1-yl]ethyl]azanium

C17H34N3O2+ — CID 168735202

IUPACtrimethyl-[2-oxo-2-[4-(2,2,3,3-tetramethylbutanoyl)piperazin-1-yl]ethyl]azanium
SMILESCC(C)(C)C(C)(C)C(=O)N1CCN(C(=O)C[N+](C)(C)C)CC1
InChIInChI=1S/C17H34N3O2/c1-16(2,3)17(4,5)15(22)19-11-9-18(10-12-19)14(21)13-20(6,7)8/h9-13H2,1-8H3/q+1
InChIKeyXGODWVNZWCICJQ-UHFFFAOYSA-N
MW312.48 g/mol
LogP1.44
Rot. Bonds3

About trimethyl-[2-oxo-2-[4-(2,2,3,3-tetramethylbutanoyl)piperazin-1-yl]ethyl]azanium

trimethyl-[2-oxo-2-[4-(2,2,3,3-tetramethylbutanoyl)piperazin-1-yl]ethyl]azanium (PubChem CID 168735202) has the molecular formula C17H34N3O2+ and a molecular weight of 312.48 g/mol. Its IUPAC name is trimethyl-[2-oxo-2-[4-(2,2,3,3-tetramethylbutanoyl)piperazin-1-yl]ethyl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-oxo-2-[4-(2,2,3,3-tetramethylbutanoyl)piperazin-1-yl]ethyl]azanium
PubChem CID168735202
Molecular FormulaC17H34N3O2+
Molecular Weight312.48 g/mol
Exact Mass312.26
IUPAC Nametrimethyl-[2-oxo-2-[4-(2,2,3,3-tetramethylbutanoyl)piperazin-1-yl]ethyl]azanium
SMILESCC(C)(C)C(C)(C)C(=O)N1CCN(C(=O)C[N+](C)(C)C)CC1
InChIInChI=1S/C17H34N3O2/c1-16(2,3)17(4,5)15(22)19-11-9-18(10-12-19)14(21)13-20(6,7)8/h9-13H2,1-8H3/q+1
InChIKeyXGODWVNZWCICJQ-UHFFFAOYSA-N
XLogP1.44
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

3-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2,2,3-trimethylbutan-1-one
CID 65269716
2,2-dimethyl-1-[4-[2-(methylamino)acetyl]piperazin-1-yl]propan-1-one
CID 83634925
2-amino-2-methyl-1-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propan-1-one
CID 86779760
1-(aziridin-1-yl)-2-[[1-(aziridin-1-yl)-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropan-1-one
CID 71373201
methyl 4-(3-hydroxy-2,2,3-trimethylbutanoyl)piperazine-1-carboxylate
CID 143083898
3-amino-2,2,3-trimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one
CID 65270005
2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 3360236
2,2,4-trimethyl-1-[4-(2,2,4-trimethyl-3-oxopentanoyl)piperazin-1-yl]pentane-1,3-dione
CID 3056457
2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 158455362
2,2-dimethyl-1-[4-[2-(1-methylpyrrol-3-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110801545
2-bromo-1-(4-tert-butylpiperazin-1-yl)ethanone
CID 63680684
1-(4-aminopiperazin-1-yl)-3,3-dimethylbutan-1-one
CID 144808257

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-oxo-2-[4-(2,2,3,3-tetramethylbutanoyl)piperazin-1-yl]ethyl]azanium?
The IUPAC name of trimethyl-[2-oxo-2-[4-(2,2,3,3-tetramethylbutanoyl)piperazin-1-yl]ethyl]azanium (CID 168735202) is trimethyl-[2-oxo-2-[4-(2,2,3,3-tetramethylbutanoyl)piperazin-1-yl]ethyl]azanium.
What is the SMILES notation for trimethyl-[2-oxo-2-[4-(2,2,3,3-tetramethylbutanoyl)piperazin-1-yl]ethyl]azanium?
The canonical SMILES for trimethyl-[2-oxo-2-[4-(2,2,3,3-tetramethylbutanoyl)piperazin-1-yl]ethyl]azanium is CC(C)(C)C(C)(C)C(=O)N1CCN(C(=O)C[N+](C)(C)C)CC1.
What is the InChIKey of trimethyl-[2-oxo-2-[4-(2,2,3,3-tetramethylbutanoyl)piperazin-1-yl]ethyl]azanium?
The InChIKey is XGODWVNZWCICJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N3O2/c1-16(2,3)17(4,5)15(22)19-11-9-18(10-12-19)14(21)13-20(6,7)8/h9-13H2,1-8H3/q+1.
What are the key properties of trimethyl-[2-oxo-2-[4-(2,2,3,3-tetramethylbutanoyl)piperazin-1-yl]ethyl]azanium?
trimethyl-[2-oxo-2-[4-(2,2,3,3-tetramethylbutanoyl)piperazin-1-yl]ethyl]azanium has a molecular weight of 312.48 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-oxo-2-[4-(2,2,3,3-tetramethylbutanoyl)piperazin-1-yl]ethyl]azanium is sourced from PubChem (CID 168735202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).