(E)-4-(4-ethyl-2-oxopiperazin-1-yl)-N-methylbut-2-enamide

C11H19N3O2 — CID 118400725

IUPAC(E)-4-(4-ethyl-2-oxopiperazin-1-yl)-N-methylbut-2-enamide
SMILESCCN1CCN(C/C=C/C(=O)NC)C(=O)C1
InChIInChI=1S/C11H19N3O2/c1-3-13-7-8-14(11(16)9-13)6-4-5-10(15)12-2/h4-5H,3,6-9H2,1-2H3,(H,12,15)/b5-4+
InChIKeyLEBHOHSQROSYMB-SNAWJCMRSA-N
MW225.29 g/mol
LogP-0.55
Rot. Bonds4

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

(E)-4-(4-ethyl-2-oxopiperazin-1-yl)-N-methylbut-2-enamide (PubChem CID 118400725) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is (E)-4-(4-ethyl-2-oxopiperazin-1-yl)-N-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-(4-ethyl-2-oxopiperazin-1-yl)-N-methylbut-2-enamide
PubChem CID118400725
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name(E)-4-(4-ethyl-2-oxopiperazin-1-yl)-N-methylbut-2-enamide
SMILESCCN1CCN(C/C=C/C(=O)NC)C(=O)C1
InChIInChI=1S/C11H19N3O2/c1-3-13-7-8-14(11(16)9-13)6-4-5-10(15)12-2/h4-5H,3,6-9H2,1-2H3,(H,12,15)/b5-4+
InChIKeyLEBHOHSQROSYMB-SNAWJCMRSA-N
XLogP-0.55
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.55
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)-N-methylbut-2-enamide?
The IUPAC name of (E)-4-(4-ethyl-2-oxopiperazin-1-yl)-N-methylbut-2-enamide (CID 118400725) is (E)-4-(4-ethyl-2-oxopiperazin-1-yl)-N-methylbut-2-enamide.
What is the SMILES notation for (E)-4-(4-ethyl-2-oxopiperazin-1-yl)-N-methylbut-2-enamide?
The canonical SMILES for (E)-4-(4-ethyl-2-oxopiperazin-1-yl)-N-methylbut-2-enamide is CCN1CCN(C/C=C/C(=O)NC)C(=O)C1.
What is the InChIKey of (E)-4-(4-ethyl-2-oxopiperazin-1-yl)-N-methylbut-2-enamide?
The InChIKey is LEBHOHSQROSYMB-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-13-7-8-14(11(16)9-13)6-4-5-10(15)12-2/h4-5H,3,6-9H2,1-2H3,(H,12,15)/b5-4+.
What are the key properties of (E)-4-(4-ethyl-2-oxopiperazin-1-yl)-N-methylbut-2-enamide?
(E)-4-(4-ethyl-2-oxopiperazin-1-yl)-N-methylbut-2-enamide has a molecular weight of 225.29 g/mol, XLogP of -0.55, 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)-N-methylbut-2-enamide is sourced from PubChem (CID 118400725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).