(E)-4-[4-(2-methoxyethyl)piperazin-1-yl]but-2-enehydrazide

C11H22N4O2 — CID 144832712

IUPAC(E)-4-[4-(2-methoxyethyl)piperazin-1-yl]but-2-enehydrazide
SMILESCOCCN1CCN(C/C=C/C(=O)NN)CC1
InChIInChI=1S/C11H22N4O2/c1-17-10-9-15-7-5-14(6-8-15)4-2-3-11(16)13-12/h2-3H,4-10,12H2,1H3,(H,13,16)/b3-2+
InChIKeyFMFVQYOKUJTWRQ-NSCUHMNNSA-N
MW242.32 g/mol
LogP-1.20
Rot. Bonds6

About (E)-4-[4-(2-methoxyethyl)piperazin-1-yl]but-2-enehydrazide

(E)-4-[4-(2-methoxyethyl)piperazin-1-yl]but-2-enehydrazide (PubChem CID 144832712) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is (E)-4-[4-(2-methoxyethyl)piperazin-1-yl]but-2-enehydrazide.

Molecular Properties

Compound Name(E)-4-[4-(2-methoxyethyl)piperazin-1-yl]but-2-enehydrazide
PubChem CID144832712
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name(E)-4-[4-(2-methoxyethyl)piperazin-1-yl]but-2-enehydrazide
SMILESCOCCN1CCN(C/C=C/C(=O)NN)CC1
InChIInChI=1S/C11H22N4O2/c1-17-10-9-15-7-5-14(6-8-15)4-2-3-11(16)13-12/h2-3H,4-10,12H2,1H3,(H,13,16)/b3-2+
InChIKeyFMFVQYOKUJTWRQ-NSCUHMNNSA-N
XLogP-1.20
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-4-[4-(2-methoxyethyl)piperazin-1-yl]but-2-enehydrazide with MolForge

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Related Compounds

2-(Trimethylazaniumyl)ethanolate-1,2-dihydro-3,6-pyridazinedione (1:1)
CID 165339298
4-[4-(4-Hydrazinyl-4-oxobut-2-enyl)piperazin-1-yl]but-2-enehydrazide
CID 69094618
N'-(3-morpholin-4-ylpropyl)-4-oxobut-2-enehydrazide
CID 88316899
(E)-N-iodo-4-[4-(2-methoxyethyl)piperazin-1-yl]but-2-enamide
CID 118033988
(E)-4-[4-(2-methoxyethyl)piperazin-1-yl]but-2-enamide
CID 122536663
(E)-4-[2-[2-[2-(dimethylamino)ethoxy]ethyl]hydrazinyl]-4-oxobut-2-enamide
CID 142767838
(E)-4-morpholin-4-ylbut-2-enehydrazide
CID 144832692
(E)-4-(4-methylpiperazin-1-yl)but-2-enehydrazide
CID 144832735
N-morpholin-4-ylpent-2-enamide
CID 173539887
N-(4-propylmorpholin-4-ium-4-yl)prop-2-enamide
CID 69237966
(E)-N-morpholin-4-ylbut-2-enamide
CID 78907909
(E)-N-(4-methylpiperazin-1-yl)but-2-enamide
CID 78911890

Frequently Asked Questions

What is the IUPAC name of (E)-4-[4-(2-methoxyethyl)piperazin-1-yl]but-2-enehydrazide?
The IUPAC name of (E)-4-[4-(2-methoxyethyl)piperazin-1-yl]but-2-enehydrazide (CID 144832712) is (E)-4-[4-(2-methoxyethyl)piperazin-1-yl]but-2-enehydrazide.
What is the SMILES notation for (E)-4-[4-(2-methoxyethyl)piperazin-1-yl]but-2-enehydrazide?
The canonical SMILES for (E)-4-[4-(2-methoxyethyl)piperazin-1-yl]but-2-enehydrazide is COCCN1CCN(C/C=C/C(=O)NN)CC1.
What is the InChIKey of (E)-4-[4-(2-methoxyethyl)piperazin-1-yl]but-2-enehydrazide?
The InChIKey is FMFVQYOKUJTWRQ-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-17-10-9-15-7-5-14(6-8-15)4-2-3-11(16)13-12/h2-3H,4-10,12H2,1H3,(H,13,16)/b3-2+.
What are the key properties of (E)-4-[4-(2-methoxyethyl)piperazin-1-yl]but-2-enehydrazide?
(E)-4-[4-(2-methoxyethyl)piperazin-1-yl]but-2-enehydrazide has a molecular weight of 242.32 g/mol, XLogP of -1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[4-(2-methoxyethyl)piperazin-1-yl]but-2-enehydrazide is sourced from PubChem (CID 144832712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).