2-ethenylimino-N-[2-(4-methylpiperazin-1-yl)ethyl]but-3-enamide

C13H22N4O — CID 123143185

IUPAC2-ethenylimino-N-[2-(4-methylpiperazin-1-yl)ethyl]but-3-enamide
SMILESC=C/N=C(\C=C)C(=O)NCCN1CCN(C)CC1
InChIInChI=1S/C13H22N4O/c1-4-12(14-5-2)13(18)15-6-7-17-10-8-16(3)9-11-17/h4-5H,1-2,6-11H2,3H3,(H,15,18)/b14-12+
InChIKeyIWNILUVYDRKJFB-WYMLVPIESA-N
MW250.35 g/mol
LogP0.12
Rot. Bonds6

About 2-ethenylimino-N-[2-(4-methylpiperazin-1-yl)ethyl]but-3-enamide

2-ethenylimino-N-[2-(4-methylpiperazin-1-yl)ethyl]but-3-enamide (PubChem CID 123143185) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-ethenylimino-N-[2-(4-methylpiperazin-1-yl)ethyl]but-3-enamide.

Molecular Properties

Compound Name2-ethenylimino-N-[2-(4-methylpiperazin-1-yl)ethyl]but-3-enamide
PubChem CID123143185
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-ethenylimino-N-[2-(4-methylpiperazin-1-yl)ethyl]but-3-enamide
SMILESC=C/N=C(\C=C)C(=O)NCCN1CCN(C)CC1
InChIInChI=1S/C13H22N4O/c1-4-12(14-5-2)13(18)15-6-7-17-10-8-16(3)9-11-17/h4-5H,1-2,6-11H2,3H3,(H,15,18)/b14-12+
InChIKeyIWNILUVYDRKJFB-WYMLVPIESA-N
XLogP0.12
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[4-(azetidin-3-yl)piperazin-1-yl]-2-[(Z)-prop-1-enyl]iminopropan-1-one
CID 117809896
N-butyl-2-ethenyliminobut-3-enamide
CID 142959978
1-[6-(2-aminoethenyl)-3,5-dihydro-2H-pyrazin-4-yl]ethanone
CID 147242123
2-(3,4-Diaminobut-3-en-2-ylideneamino)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 154012069
2-ethenylimino-N-ethylbut-3-enamide
CID 170583189
1-[6-(2-aminoethenyl)-3,5-dihydro-2H-pyrazin-4-yl]-2-methylpropan-1-one
CID 173866010
N-[2-[5-(2-aminoethenyl)-1,2,3,6-tetrahydropyrazin-3-yl]ethyl]-2-methylpropanamide
CID 173985704
1-[4-[(E)-1-(but-3-en-2-ylideneamino)but-1-en-2-yl]piperazin-1-yl]ethanone
CID 177213912
ethane;N-(2-ethenyliminobut-3-enyl)acetamide
CID 177244131
4-Methyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-2-one
CID 114217404
4-Methyl-1-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-2-one
CID 114217405
2-Imino-1-piperazin-1-ylhex-3-en-1-one
CID 163264206

Frequently Asked Questions

What is the IUPAC name of 2-ethenylimino-N-[2-(4-methylpiperazin-1-yl)ethyl]but-3-enamide?
The IUPAC name of 2-ethenylimino-N-[2-(4-methylpiperazin-1-yl)ethyl]but-3-enamide (CID 123143185) is 2-ethenylimino-N-[2-(4-methylpiperazin-1-yl)ethyl]but-3-enamide.
What is the SMILES notation for 2-ethenylimino-N-[2-(4-methylpiperazin-1-yl)ethyl]but-3-enamide?
The canonical SMILES for 2-ethenylimino-N-[2-(4-methylpiperazin-1-yl)ethyl]but-3-enamide is C=C/N=C(\C=C)C(=O)NCCN1CCN(C)CC1.
What is the InChIKey of 2-ethenylimino-N-[2-(4-methylpiperazin-1-yl)ethyl]but-3-enamide?
The InChIKey is IWNILUVYDRKJFB-WYMLVPIESA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-12(14-5-2)13(18)15-6-7-17-10-8-16(3)9-11-17/h4-5H,1-2,6-11H2,3H3,(H,15,18)/b14-12+.
What are the key properties of 2-ethenylimino-N-[2-(4-methylpiperazin-1-yl)ethyl]but-3-enamide?
2-ethenylimino-N-[2-(4-methylpiperazin-1-yl)ethyl]but-3-enamide has a molecular weight of 250.35 g/mol, XLogP of 0.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylimino-N-[2-(4-methylpiperazin-1-yl)ethyl]but-3-enamide is sourced from PubChem (CID 123143185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).