(E)-4-(4-ethyl-2-oxopiperazin-1-yl)but-2-enamide

C10H17N3O2 — CID 155002210

IUPAC(E)-4-(4-ethyl-2-oxopiperazin-1-yl)but-2-enamide
SMILESCCN1CCN(C/C=C/C(N)=O)C(=O)C1
InChIInChI=1S/C10H17N3O2/c1-2-12-6-7-13(10(15)8-12)5-3-4-9(11)14/h3-4H,2,5-8H2,1H3,(H2,11,14)/b4-3+
InChIKeyATURZASWBVKDGO-ONEGZZNKSA-N
MW211.26 g/mol
LogP-0.81
Rot. Bonds4

About (E)-4-(4-ethyl-2-oxopiperazin-1-yl)but-2-enamide

(E)-4-(4-ethyl-2-oxopiperazin-1-yl)but-2-enamide (PubChem CID 155002210) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is (E)-4-(4-ethyl-2-oxopiperazin-1-yl)but-2-enamide.

Molecular Properties

Compound Name(E)-4-(4-ethyl-2-oxopiperazin-1-yl)but-2-enamide
PubChem CID155002210
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name(E)-4-(4-ethyl-2-oxopiperazin-1-yl)but-2-enamide
SMILESCCN1CCN(C/C=C/C(N)=O)C(=O)C1
InChIInChI=1S/C10H17N3O2/c1-2-12-6-7-13(10(15)8-12)5-3-4-9(11)14/h3-4H,2,5-8H2,1H3,(H2,11,14)/b4-3+
InChIKeyATURZASWBVKDGO-ONEGZZNKSA-N
XLogP-0.81
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.81
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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Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-ethyl-2-oxopiperazin-1-yl)but-2-enamide?
The IUPAC name of (E)-4-(4-ethyl-2-oxopiperazin-1-yl)but-2-enamide (CID 155002210) is (E)-4-(4-ethyl-2-oxopiperazin-1-yl)but-2-enamide.
What is the SMILES notation for (E)-4-(4-ethyl-2-oxopiperazin-1-yl)but-2-enamide?
The canonical SMILES for (E)-4-(4-ethyl-2-oxopiperazin-1-yl)but-2-enamide is CCN1CCN(C/C=C/C(N)=O)C(=O)C1.
What is the InChIKey of (E)-4-(4-ethyl-2-oxopiperazin-1-yl)but-2-enamide?
The InChIKey is ATURZASWBVKDGO-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-2-12-6-7-13(10(15)8-12)5-3-4-9(11)14/h3-4H,2,5-8H2,1H3,(H2,11,14)/b4-3+.
What are the key properties of (E)-4-(4-ethyl-2-oxopiperazin-1-yl)but-2-enamide?
(E)-4-(4-ethyl-2-oxopiperazin-1-yl)but-2-enamide has a molecular weight of 211.26 g/mol, XLogP of -0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-ethyl-2-oxopiperazin-1-yl)but-2-enamide is sourced from PubChem (CID 155002210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).