(E)-4-amino-N-(4-methylpiperazin-1-yl)but-2-enamide

C9H18N4O — CID 130533305

IUPAC(E)-4-amino-N-(4-methylpiperazin-1-yl)but-2-enamide
SMILESCN1CCN(NC(=O)/C=C/CN)CC1
InChIInChI=1S/C9H18N4O/c1-12-5-7-13(8-6-12)11-9(14)3-2-4-10/h2-3H,4-8,10H2,1H3,(H,11,14)/b3-2+
InChIKeyVBOMPSRIAQYFGN-NSCUHMNNSA-N
MW198.27 g/mol
LogP-1.22
Rot. Bonds3

About (E)-4-amino-N-(4-methylpiperazin-1-yl)but-2-enamide

(E)-4-amino-N-(4-methylpiperazin-1-yl)but-2-enamide (PubChem CID 130533305) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is (E)-4-amino-N-(4-methylpiperazin-1-yl)but-2-enamide.

Molecular Properties

Compound Name(E)-4-amino-N-(4-methylpiperazin-1-yl)but-2-enamide
PubChem CID130533305
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name(E)-4-amino-N-(4-methylpiperazin-1-yl)but-2-enamide
SMILESCN1CCN(NC(=O)/C=C/CN)CC1
InChIInChI=1S/C9H18N4O/c1-12-5-7-13(8-6-12)11-9(14)3-2-4-10/h2-3H,4-8,10H2,1H3,(H,11,14)/b3-2+
InChIKeyVBOMPSRIAQYFGN-NSCUHMNNSA-N
XLogP-1.22
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylpiperazin-1-yl)prop-2-enamide
CID 13628884
N-[4-(prop-2-enoylamino)piperazin-1-yl]prop-2-enamide
CID 18678965
But-2-enoyl-dimethyl-(propylamino)azanium
CID 54013485
4-[4-(4-Hydrazinyl-4-oxobut-2-enyl)piperazin-1-yl]but-2-enehydrazide
CID 69094618
(E)-4-(4-methylpiperazin-1-yl)but-2-enamide
CID 118024458
(E)-N-(3,3,5,5-tetramethylpiperazin-1-yl)but-2-enamide
CID 139944539
4-(4-Methylpiperazin-1-yl)but-2-enamide
CID 141030284
4-(4-Ethylpiperazin-1-yl)but-2-enamide
CID 141030287
4-(dipropylamino)-N',N'-dimethylbut-2-enehydrazide
CID 141156018
N'-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]acetohydrazide;ethane
CID 143571843
(E)-4-[4-(2-methoxyethyl)piperazin-1-yl]but-2-enehydrazide
CID 144832712
(E)-4-(4-cyclopropylpiperazin-1-yl)but-2-enehydrazide
CID 144832724

Frequently Asked Questions

What is the IUPAC name of (E)-4-amino-N-(4-methylpiperazin-1-yl)but-2-enamide?
The IUPAC name of (E)-4-amino-N-(4-methylpiperazin-1-yl)but-2-enamide (CID 130533305) is (E)-4-amino-N-(4-methylpiperazin-1-yl)but-2-enamide.
What is the SMILES notation for (E)-4-amino-N-(4-methylpiperazin-1-yl)but-2-enamide?
The canonical SMILES for (E)-4-amino-N-(4-methylpiperazin-1-yl)but-2-enamide is CN1CCN(NC(=O)/C=C/CN)CC1.
What is the InChIKey of (E)-4-amino-N-(4-methylpiperazin-1-yl)but-2-enamide?
The InChIKey is VBOMPSRIAQYFGN-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H18N4O/c1-12-5-7-13(8-6-12)11-9(14)3-2-4-10/h2-3H,4-8,10H2,1H3,(H,11,14)/b3-2+.
What are the key properties of (E)-4-amino-N-(4-methylpiperazin-1-yl)but-2-enamide?
(E)-4-amino-N-(4-methylpiperazin-1-yl)but-2-enamide has a molecular weight of 198.27 g/mol, XLogP of -1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-amino-N-(4-methylpiperazin-1-yl)but-2-enamide is sourced from PubChem (CID 130533305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).