2-[4-(2-aminoacetyl)piperazin-1-yl]-N-prop-2-enylacetamide

C11H20N4O2 — CID 54869753

IUPAC2-[4-(2-aminoacetyl)piperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN(C(=O)CN)CC1
InChIInChI=1S/C11H20N4O2/c1-2-3-13-10(16)9-14-4-6-15(7-5-14)11(17)8-12/h2H,1,3-9,12H2,(H,13,16)
InChIKeyOAHWCKNHCSTZEX-UHFFFAOYSA-N
MW240.31 g/mol
LogP-1.61
Rot. Bonds5

About 2-[4-(2-aminoacetyl)piperazin-1-yl]-N-prop-2-enylacetamide

2-[4-(2-aminoacetyl)piperazin-1-yl]-N-prop-2-enylacetamide (PubChem CID 54869753) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-[4-(2-aminoacetyl)piperazin-1-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[4-(2-aminoacetyl)piperazin-1-yl]-N-prop-2-enylacetamide
PubChem CID54869753
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name2-[4-(2-aminoacetyl)piperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN(C(=O)CN)CC1
InChIInChI=1S/C11H20N4O2/c1-2-3-13-10(16)9-14-4-6-15(7-5-14)11(17)8-12/h2H,1,3-9,12H2,(H,13,16)
InChIKeyOAHWCKNHCSTZEX-UHFFFAOYSA-N
XLogP-1.61
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-1.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 54875154
2-(4-butanoylpiperazin-1-yl)-N-prop-2-enylacetamide
CID 60708203
2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 55498763
2-[4-[2-(propan-2-ylamino)acetyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 60938599
2-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 93368513
2-[4-(4-hydroxypentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 79201471
2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 60711965
2-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-N-prop-2-enylacetamide;dihydrochloride
CID 119837882
2-[4-(2-amino-2-methylbutanoyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 79805132
2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 79270934
2-methyl-3-oxo-3-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanoic acid
CID 114897489
2-[4-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 55451858

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoacetyl)piperazin-1-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[4-(2-aminoacetyl)piperazin-1-yl]-N-prop-2-enylacetamide (CID 54869753) is 2-[4-(2-aminoacetyl)piperazin-1-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[4-(2-aminoacetyl)piperazin-1-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[4-(2-aminoacetyl)piperazin-1-yl]-N-prop-2-enylacetamide is C=CCNC(=O)CN1CCN(C(=O)CN)CC1.
What is the InChIKey of 2-[4-(2-aminoacetyl)piperazin-1-yl]-N-prop-2-enylacetamide?
The InChIKey is OAHWCKNHCSTZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-2-3-13-10(16)9-14-4-6-15(7-5-14)11(17)8-12/h2H,1,3-9,12H2,(H,13,16).
What are the key properties of 2-[4-(2-aminoacetyl)piperazin-1-yl]-N-prop-2-enylacetamide?
2-[4-(2-aminoacetyl)piperazin-1-yl]-N-prop-2-enylacetamide has a molecular weight of 240.31 g/mol, XLogP of -1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoacetyl)piperazin-1-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 54869753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).