2-(4-methylpiperazin-1-yl)-2-oxo-N-prop-2-enylacetamide

C10H17N3O2 — CID 108517092

IUPAC2-(4-methylpiperazin-1-yl)-2-oxo-N-prop-2-enylacetamide
SMILESC=CCNC(=O)C(=O)N1CCN(C)CC1
InChIInChI=1S/C10H17N3O2/c1-3-4-11-9(14)10(15)13-7-5-12(2)6-8-13/h3H,1,4-8H2,2H3,(H,11,14)
InChIKeyWWJUBCNRVHIEAX-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.94
Rot. Bonds2

About 2-(4-methylpiperazin-1-yl)-2-oxo-N-prop-2-enylacetamide

2-(4-methylpiperazin-1-yl)-2-oxo-N-prop-2-enylacetamide (PubChem CID 108517092) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-2-oxo-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-2-oxo-N-prop-2-enylacetamide
PubChem CID108517092
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-(4-methylpiperazin-1-yl)-2-oxo-N-prop-2-enylacetamide
SMILESC=CCNC(=O)C(=O)N1CCN(C)CC1
InChIInChI=1S/C10H17N3O2/c1-3-4-11-9(14)10(15)13-7-5-12(2)6-8-13/h3H,1,4-8H2,2H3,(H,11,14)
InChIKeyWWJUBCNRVHIEAX-UHFFFAOYSA-N
XLogP-0.94
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-dimethylpiperidin-1-yl)-2-oxo-N-prop-2-enylacetamide
CID 108520564
2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-N-prop-2-enylacetamide
CID 18588549
2-(4-methylpiperazin-1-yl)-2-oxo-N-pentylacetamide
CID 108517060
2-(4-methylpiperazin-1-yl)-2-oxoacetohydrazide
CID 2760035
N-prop-2-enylpyrrolidine-1-carboxamide
CID 102517238
N-[(4-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)-2-oxoacetamide
CID 108517042
2-(4-methylpiperazin-1-yl)-2-oxo-N-propan-2-ylacetamide
CID 108503261
2-(1,3-dimethyl-1,3-diazinan-2-ylidene)-N,N'-bis(prop-2-enyl)propanediamide
CID 102423062
1-(1-methylpiperidin-4-yl)-3-prop-2-enylurea
CID 110865945
N-(1-hydroxy-2-methylpropan-2-yl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide
CID 108517189
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(prop-2-enylamino)acetamide
CID 79285589
methyl (E)-3-(aziridin-1-yl)-3-(prop-2-enylamino)prop-2-enoate
CID 13438831

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-2-oxo-N-prop-2-enylacetamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-2-oxo-N-prop-2-enylacetamide (CID 108517092) is 2-(4-methylpiperazin-1-yl)-2-oxo-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-2-oxo-N-prop-2-enylacetamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-2-oxo-N-prop-2-enylacetamide is C=CCNC(=O)C(=O)N1CCN(C)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-2-oxo-N-prop-2-enylacetamide?
The InChIKey is WWJUBCNRVHIEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-4-11-9(14)10(15)13-7-5-12(2)6-8-13/h3H,1,4-8H2,2H3,(H,11,14).
What are the key properties of 2-(4-methylpiperazin-1-yl)-2-oxo-N-prop-2-enylacetamide?
2-(4-methylpiperazin-1-yl)-2-oxo-N-prop-2-enylacetamide has a molecular weight of 211.26 g/mol, XLogP of -0.94, 2 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-prop-2-enylacetamide is sourced from PubChem (CID 108517092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).