(E)-4-[4-(2-methoxyethyl)piperazin-1-yl]-N-methylbut-2-enamide

C12H23N3O2 — CID 118034007

IUPAC(E)-4-[4-(2-methoxyethyl)piperazin-1-yl]-N-methylbut-2-enamide
SMILESCNC(=O)/C=C/CN1CCN(CCOC)CC1
InChIInChI=1S/C12H23N3O2/c1-13-12(16)4-3-5-14-6-8-15(9-7-14)10-11-17-2/h3-4H,5-11H2,1-2H3,(H,13,16)/b4-3+
InChIKeyCJXJBYJWLDXIJV-ONEGZZNKSA-N
MW241.33 g/mol
LogP-0.45
Rot. Bonds6

About (E)-4-[4-(2-methoxyethyl)piperazin-1-yl]-N-methylbut-2-enamide

(E)-4-[4-(2-methoxyethyl)piperazin-1-yl]-N-methylbut-2-enamide (PubChem CID 118034007) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is (E)-4-[4-(2-methoxyethyl)piperazin-1-yl]-N-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-[4-(2-methoxyethyl)piperazin-1-yl]-N-methylbut-2-enamide
PubChem CID118034007
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name(E)-4-[4-(2-methoxyethyl)piperazin-1-yl]-N-methylbut-2-enamide
SMILESCNC(=O)/C=C/CN1CCN(CCOC)CC1
InChIInChI=1S/C12H23N3O2/c1-13-12(16)4-3-5-14-6-8-15(9-7-14)10-11-17-2/h3-4H,5-11H2,1-2H3,(H,13,16)/b4-3+
InChIKeyCJXJBYJWLDXIJV-ONEGZZNKSA-N
XLogP-0.45
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-[4-(2-methoxyethyl)piperazin-1-yl]-N-methylbut-2-enamide?
The IUPAC name of (E)-4-[4-(2-methoxyethyl)piperazin-1-yl]-N-methylbut-2-enamide (CID 118034007) is (E)-4-[4-(2-methoxyethyl)piperazin-1-yl]-N-methylbut-2-enamide.
What is the SMILES notation for (E)-4-[4-(2-methoxyethyl)piperazin-1-yl]-N-methylbut-2-enamide?
The canonical SMILES for (E)-4-[4-(2-methoxyethyl)piperazin-1-yl]-N-methylbut-2-enamide is CNC(=O)/C=C/CN1CCN(CCOC)CC1.
What is the InChIKey of (E)-4-[4-(2-methoxyethyl)piperazin-1-yl]-N-methylbut-2-enamide?
The InChIKey is CJXJBYJWLDXIJV-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-13-12(16)4-3-5-14-6-8-15(9-7-14)10-11-17-2/h3-4H,5-11H2,1-2H3,(H,13,16)/b4-3+.
What are the key properties of (E)-4-[4-(2-methoxyethyl)piperazin-1-yl]-N-methylbut-2-enamide?
(E)-4-[4-(2-methoxyethyl)piperazin-1-yl]-N-methylbut-2-enamide has a molecular weight of 241.33 g/mol, XLogP of -0.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[4-(2-methoxyethyl)piperazin-1-yl]-N-methylbut-2-enamide is sourced from PubChem (CID 118034007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).