N-(1-hydroxy-2-methylpropan-2-yl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide

C11H21N3O3 — CID 108517189

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide
SMILESCN1CCN(C(=O)C(=O)NC(C)(C)CO)CC1
InChIInChI=1S/C11H21N3O3/c1-11(2,8-15)12-9(16)10(17)14-6-4-13(3)5-7-14/h15H,4-8H2,1-3H3,(H,12,16)
InChIKeyTZDGUAYYUDFQEG-UHFFFAOYSA-N
MW243.31 g/mol
LogP-1.35
Rot. Bonds2

About N-(1-hydroxy-2-methylpropan-2-yl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide

N-(1-hydroxy-2-methylpropan-2-yl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide (PubChem CID 108517189) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide
PubChem CID108517189
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide
SMILESCN1CCN(C(=O)C(=O)NC(C)(C)CO)CC1
InChIInChI=1S/C11H21N3O3/c1-11(2,8-15)12-9(16)10(17)14-6-4-13(3)5-7-14/h15H,4-8H2,1-3H3,(H,12,16)
InChIKeyTZDGUAYYUDFQEG-UHFFFAOYSA-N
XLogP-1.35
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-1.35
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-benzhydrylpiperazin-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)-2-oxoacetamide
CID 108504797
2-(2,6-dimethylmorpholin-4-yl)-N-(1-hydroxy-2-methylpropan-2-yl)-2-oxoacetamide
CID 108504128
2-(4-methylpiperazin-1-yl)-2-oxoacetohydrazide
CID 2760035
2-(4-methylpiperazin-1-yl)-2-oxo-N-propan-2-ylacetamide
CID 108503261
N-(1-amino-2-methylpropan-2-yl)-4-methylpiperazine-1-carboxamide
CID 82508951
2-(4-methylpiperidin-1-yl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 108504586
2-(4-methylpiperazin-1-yl)-2-oxo-N-prop-2-enylacetamide
CID 108517092
2-(4-methylpiperazin-1-yl)-2-oxo-N-pentylacetamide
CID 108517060
N'-(1-hydroxy-2-methylpropan-2-yl)-N-(2-morpholin-4-ylethyl)oxamide
CID 108517619
2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 3360236
2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 158455362
N-(4-methylpiperazin-1-yl)-2-morpholin-4-yl-2-oxoacetamide
CID 108509776

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide (CID 108517189) is N-(1-hydroxy-2-methylpropan-2-yl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide is CN1CCN(C(=O)C(=O)NC(C)(C)CO)CC1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide?
The InChIKey is TZDGUAYYUDFQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-11(2,8-15)12-9(16)10(17)14-6-4-13(3)5-7-14/h15H,4-8H2,1-3H3,(H,12,16).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide?
N-(1-hydroxy-2-methylpropan-2-yl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide has a molecular weight of 243.31 g/mol, XLogP of -1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 108517189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).