2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]acetamide

C11H20N4O2 — CID 30966930

IUPAC2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]acetamide
SMILESC=CCNC(=O)CN1CCN(CC(N)=O)CC1
InChIInChI=1S/C11H20N4O2/c1-2-3-13-11(17)9-15-6-4-14(5-7-15)8-10(12)16/h2H,1,3-9H2,(H2,12,16)(H,13,17)
InChIKeyKHUDTWTZASSQQK-UHFFFAOYSA-N
MW240.31 g/mol
LogP-1.61
Rot. Bonds6

About 2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]acetamide

2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]acetamide (PubChem CID 30966930) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]acetamide
PubChem CID30966930
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]acetamide
SMILESC=CCNC(=O)CN1CCN(CC(N)=O)CC1
InChIInChI=1S/C11H20N4O2/c1-2-3-13-11(17)9-15-6-4-14(5-7-15)8-10(12)16/h2H,1,3-9H2,(H2,12,16)(H,13,17)
InChIKeyKHUDTWTZASSQQK-UHFFFAOYSA-N
XLogP-1.61
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

N~1~,N~2~-diallylethanediamide
CID 241033
2-(piperazin-1-yl)-N-(prop-2-en-1-yl)acetamide
CID 8893273
N-allyl-4-methyl-piperazine-1-carboxyamide
CID 3229441
3-Methyl-1-(prop-2-en-1-yl)piperazin-2-one
CID 20099299
1-(4-Allyl-piperazin-1-yl)-2-amino-ethanone dihydrochloride
CID 44890715
2-(4-methylpiperazin-1-yl)-N-prop-2-enylpropanamide
CID 3229462
Allyloxamid
CID 22736542
2-(methylamino)-N,N-bis(prop-2-enyl)acetamide
CID 24694747
2-[acetyl(propan-2-yl)amino]-N-prop-2-enylacetamide
CID 113158100
1-(4-Allylpiperazin-1-yl)-2-aminoethanone
CID 2756306
Ammonium, (oxalylbis(iminoethylene))bis(allyldiethyl-, dibromide
CID 24833562
4-[2-oxo-2-(prop-2-enylamino)ethyl]-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 53569249

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]acetamide?
The IUPAC name of 2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]acetamide (CID 30966930) is 2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]acetamide is C=CCNC(=O)CN1CCN(CC(N)=O)CC1.
What is the InChIKey of 2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]acetamide?
The InChIKey is KHUDTWTZASSQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-2-3-13-11(17)9-15-6-4-14(5-7-15)8-10(12)16/h2H,1,3-9H2,(H2,12,16)(H,13,17).
What are the key properties of 2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]acetamide?
2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]acetamide has a molecular weight of 240.31 g/mol, XLogP of -1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 30966930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).