2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-(2,4,6-trimethylphenyl)acetamide

C17H25N3O3 — CID 108512226

IUPAC2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)C(=O)N2CCN(CCO)CC2)c(C)c1
InChIInChI=1S/C17H25N3O3/c1-12-10-13(2)15(14(3)11-12)18-16(22)17(23)20-6-4-19(5-7-20)8-9-21/h10-11,21H,4-9H2,1-3H3,(H,18,22)
InChIKeyVQUQARJRZVWDQZ-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.69
Rot. Bonds3

About 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-(2,4,6-trimethylphenyl)acetamide

2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 108512226) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID108512226
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)C(=O)N2CCN(CCO)CC2)c(C)c1
InChIInChI=1S/C17H25N3O3/c1-12-10-13(2)15(14(3)11-12)18-16(22)17(23)20-6-4-19(5-7-20)8-9-21/h10-11,21H,4-9H2,1-3H3,(H,18,22)
InChIKeyVQUQARJRZVWDQZ-UHFFFAOYSA-N
XLogP0.69
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxo-N-(2,4,6-trimethylphenyl)acetamide
CID 111117369
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-N-(2,4,6-trimethylphenyl)acetamide
CID 111798574
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-N-(2,4,6-trimethylphenyl)acetamide
CID 44902587
4-pentyl-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113110801
N-(4-tert-butylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide
CID 108522878
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-hydroxyphenyl)-2-oxoacetamide
CID 108514264
3-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 110858181
N-(3-bromophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide
CID 108522875
N,N'-bis(2,4,6-trimethylphenyl)oxamide
CID 13271247
ethyl 2-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetyl]amino]benzoate
CID 108501814
3-piperidin-1-yl-N-(2,4,6-trimethylphenyl)propanamide
CID 683819
N-(3,5-dimethylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 2901262

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-(2,4,6-trimethylphenyl)acetamide (CID 108512226) is 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)C(=O)N2CCN(CCO)CC2)c(C)c1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is VQUQARJRZVWDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-12-10-13(2)15(14(3)11-12)18-16(22)17(23)20-6-4-19(5-7-20)8-9-21/h10-11,21H,4-9H2,1-3H3,(H,18,22).
What are the key properties of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-(2,4,6-trimethylphenyl)acetamide?
2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 319.41 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 108512226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).