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

C9H17N3O — CID 78911890

IUPAC(E)-N-(4-methylpiperazin-1-yl)but-2-enamide
SMILESC/C=C/C(=O)NN1CCN(C)CC1
InChIInChI=1S/C9H17N3O/c1-3-4-9(13)10-12-7-5-11(2)6-8-12/h3-4H,5-8H2,1-2H3,(H,10,13)/b4-3+
InChIKeyHQLZMECTZMMXMM-ONEGZZNKSA-N
MW183.25 g/mol
LogP-0.16
Rot. Bonds2

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

(E)-N-(4-methylpiperazin-1-yl)but-2-enamide (PubChem CID 78911890) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is (E)-N-(4-methylpiperazin-1-yl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-methylpiperazin-1-yl)but-2-enamide
PubChem CID78911890
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name(E)-N-(4-methylpiperazin-1-yl)but-2-enamide
SMILESC/C=C/C(=O)NN1CCN(C)CC1
InChIInChI=1S/C9H17N3O/c1-3-4-9(13)10-12-7-5-11(2)6-8-12/h3-4H,5-8H2,1-2H3,(H,10,13)/b4-3+
InChIKeyHQLZMECTZMMXMM-ONEGZZNKSA-N
XLogP-0.16
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-Piperidin-1-ylbut-2-enehydrazide
CID 69088465
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
2-[2-(dimethylamino)ethyl]-1H-pyridazine-3,6-dione
CID 138715539
(E)-N-(3,3,5,5-tetramethylpiperazin-1-yl)but-2-enamide
CID 139944539
But-2-enyl-dimethyl-(prop-2-enoylamino)azanium chloride
CID 140525020
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

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-methylpiperazin-1-yl)but-2-enamide?
The IUPAC name of (E)-N-(4-methylpiperazin-1-yl)but-2-enamide (CID 78911890) is (E)-N-(4-methylpiperazin-1-yl)but-2-enamide.
What is the SMILES notation for (E)-N-(4-methylpiperazin-1-yl)but-2-enamide?
The canonical SMILES for (E)-N-(4-methylpiperazin-1-yl)but-2-enamide is C/C=C/C(=O)NN1CCN(C)CC1.
What is the InChIKey of (E)-N-(4-methylpiperazin-1-yl)but-2-enamide?
The InChIKey is HQLZMECTZMMXMM-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H17N3O/c1-3-4-9(13)10-12-7-5-11(2)6-8-12/h3-4H,5-8H2,1-2H3,(H,10,13)/b4-3+.
What are the key properties of (E)-N-(4-methylpiperazin-1-yl)but-2-enamide?
(E)-N-(4-methylpiperazin-1-yl)but-2-enamide has a molecular weight of 183.25 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-methylpiperazin-1-yl)but-2-enamide is sourced from PubChem (CID 78911890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).