2-oxo-2-piperazin-1-yl-N-prop-2-ynylacetamide

C9H13N3O2 — CID 82505400

IUPAC2-oxo-2-piperazin-1-yl-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)C(=O)N1CCNCC1
InChIInChI=1S/C9H13N3O2/c1-2-3-11-8(13)9(14)12-6-4-10-5-7-12/h1,10H,3-7H2,(H,11,13)
InChIKeyMVKFRNIMWJCFQZ-UHFFFAOYSA-N
MW195.22 g/mol
LogP-1.83
Rot. Bonds1

About 2-oxo-2-piperazin-1-yl-N-prop-2-ynylacetamide

2-oxo-2-piperazin-1-yl-N-prop-2-ynylacetamide (PubChem CID 82505400) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-oxo-2-piperazin-1-yl-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-oxo-2-piperazin-1-yl-N-prop-2-ynylacetamide
PubChem CID82505400
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-oxo-2-piperazin-1-yl-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)C(=O)N1CCNCC1
InChIInChI=1S/C9H13N3O2/c1-2-3-11-8(13)9(14)12-6-4-10-5-7-12/h1,10H,3-7H2,(H,11,13)
InChIKeyMVKFRNIMWJCFQZ-UHFFFAOYSA-N
XLogP-1.83
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-1.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropyl)-2-oxo-2-piperazin-1-ylacetamide
CID 28507132
2-methyl-2-piperazin-1-yl-N-prop-2-ynylpropanamide
CID 80548330
2-(1,4-diazepan-1-yl)-N-(2,2-difluoroethyl)-2-oxoacetamide
CID 115408222
N-(cyanomethyl)piperazine-1-carboxamide
CID 108864637
2-(1,4-diazepan-1-yl)-N-(2-methyl-2-methylsulfanylpropyl)-2-oxoacetamide
CID 113479277
2-(1,4-diazepan-1-yl)-N-(2-methoxy-2-methylpropyl)-2-oxoacetamide
CID 104764412
2-oxo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-piperazin-1-ylacetamide
CID 106382993
N-prop-2-ynylpyrrolidine-1-carboxamide
CID 112722494
N-ethylpiperazine-1-carboxamide
CID 9207783
2-oxo-2-piperazin-1-ylacetic acid
CID 2050152
2-(1,4-diazepan-1-yl)-N-(7-methyloctyl)-2-oxoacetamide
CID 107817508
1-(4-acetylpiperazin-1-yl)-2-piperazin-1-ylethane-1,2-dione
CID 28507184

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-piperazin-1-yl-N-prop-2-ynylacetamide?
The IUPAC name of 2-oxo-2-piperazin-1-yl-N-prop-2-ynylacetamide (CID 82505400) is 2-oxo-2-piperazin-1-yl-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-oxo-2-piperazin-1-yl-N-prop-2-ynylacetamide?
The canonical SMILES for 2-oxo-2-piperazin-1-yl-N-prop-2-ynylacetamide is C#CCNC(=O)C(=O)N1CCNCC1.
What is the InChIKey of 2-oxo-2-piperazin-1-yl-N-prop-2-ynylacetamide?
The InChIKey is MVKFRNIMWJCFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-2-3-11-8(13)9(14)12-6-4-10-5-7-12/h1,10H,3-7H2,(H,11,13).
What are the key properties of 2-oxo-2-piperazin-1-yl-N-prop-2-ynylacetamide?
2-oxo-2-piperazin-1-yl-N-prop-2-ynylacetamide has a molecular weight of 195.22 g/mol, XLogP of -1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-piperazin-1-yl-N-prop-2-ynylacetamide is sourced from PubChem (CID 82505400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).