2-(4-methylpiperazin-1-yl)-2-oxo-N-propan-2-ylacetamide

C10H19N3O2 — CID 108503261

IUPAC2-(4-methylpiperazin-1-yl)-2-oxo-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(=O)N1CCN(C)CC1
InChIInChI=1S/C10H19N3O2/c1-8(2)11-9(14)10(15)13-6-4-12(3)5-7-13/h8H,4-7H2,1-3H3,(H,11,14)
InChIKeyMKUYGMKIHZSRAA-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.71
Rot. Bonds1

About 2-(4-methylpiperazin-1-yl)-2-oxo-N-propan-2-ylacetamide

2-(4-methylpiperazin-1-yl)-2-oxo-N-propan-2-ylacetamide (PubChem CID 108503261) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-2-oxo-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-2-oxo-N-propan-2-ylacetamide
PubChem CID108503261
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name2-(4-methylpiperazin-1-yl)-2-oxo-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(=O)N1CCN(C)CC1
InChIInChI=1S/C10H19N3O2/c1-8(2)11-9(14)10(15)13-6-4-12(3)5-7-13/h8H,4-7H2,1-3H3,(H,11,14)
InChIKeyMKUYGMKIHZSRAA-UHFFFAOYSA-N
XLogP-0.71
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylpiperazin-1-yl)-2-oxoacetohydrazide
CID 2760035
2-(4-cyclopentylpiperidin-1-yl)-N-[1-(1-methylpiperidin-4-yl)ethyl]-2-oxoacetamide
CID 154859661
2-(4-acetylpiperazin-1-yl)-N-butan-2-yl-2-oxoacetamide
CID 108505389
2-[4-(5-bromothiophene-2-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51279010
2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51305621
2-oxo-N-propan-2-yl-2-[4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperazin-1-yl]acetamide
CID 47016420
2-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51279098
2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-N-propan-2-ylacetamide
CID 58790057
2-[4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 60501926
2-[4-(4-formamidobenzoyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 71871539
2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51278984
2-[4-(1-methyl-2-oxoquinoline-4-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 55759278

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-2-oxo-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-2-oxo-N-propan-2-ylacetamide (CID 108503261) is 2-(4-methylpiperazin-1-yl)-2-oxo-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-2-oxo-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-2-oxo-N-propan-2-ylacetamide is CC(C)NC(=O)C(=O)N1CCN(C)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-2-oxo-N-propan-2-ylacetamide?
The InChIKey is MKUYGMKIHZSRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-8(2)11-9(14)10(15)13-6-4-12(3)5-7-13/h8H,4-7H2,1-3H3,(H,11,14).
What are the key properties of 2-(4-methylpiperazin-1-yl)-2-oxo-N-propan-2-ylacetamide?
2-(4-methylpiperazin-1-yl)-2-oxo-N-propan-2-ylacetamide has a molecular weight of 213.28 g/mol, XLogP of -0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-2-oxo-N-propan-2-ylacetamide is sourced from PubChem (CID 108503261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).