N-(2-but-3-enoxyethyl)-5-oxopiperazine-2-carboxamide

C11H19N3O3 — CID 106398179

IUPACN-(2-but-3-enoxyethyl)-5-oxopiperazine-2-carboxamide
SMILESC=CCCOCCNC(=O)C1CNC(=O)CN1
InChIInChI=1S/C11H19N3O3/c1-2-3-5-17-6-4-12-11(16)9-7-14-10(15)8-13-9/h2,9,13H,1,3-8H2,(H,12,16)(H,14,15)
InChIKeyAQLLJBATUBSGCS-UHFFFAOYSA-N
MW241.29 g/mol
LogP-1.22
Rot. Bonds7

About N-(2-but-3-enoxyethyl)-5-oxopiperazine-2-carboxamide

N-(2-but-3-enoxyethyl)-5-oxopiperazine-2-carboxamide (PubChem CID 106398179) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-5-oxopiperazine-2-carboxamide
PubChem CID106398179
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC NameN-(2-but-3-enoxyethyl)-5-oxopiperazine-2-carboxamide
SMILESC=CCCOCCNC(=O)C1CNC(=O)CN1
InChIInChI=1S/C11H19N3O3/c1-2-3-5-17-6-4-12-11(16)9-7-14-10(15)8-13-9/h2,9,13H,1,3-8H2,(H,12,16)(H,14,15)
InChIKeyAQLLJBATUBSGCS-UHFFFAOYSA-N
XLogP-1.22
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-(2-but-3-enoxyethyl)-5-oxopiperazine-2-carboxamide (CID 106398179) is N-(2-but-3-enoxyethyl)-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-(2-but-3-enoxyethyl)-5-oxopiperazine-2-carboxamide is C=CCCOCCNC(=O)C1CNC(=O)CN1.
What is the InChIKey of N-(2-but-3-enoxyethyl)-5-oxopiperazine-2-carboxamide?
The InChIKey is AQLLJBATUBSGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-2-3-5-17-6-4-12-11(16)9-7-14-10(15)8-13-9/h2,9,13H,1,3-8H2,(H,12,16)(H,14,15).
What are the key properties of N-(2-but-3-enoxyethyl)-5-oxopiperazine-2-carboxamide?
N-(2-but-3-enoxyethyl)-5-oxopiperazine-2-carboxamide has a molecular weight of 241.29 g/mol, XLogP of -1.22, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 106398179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).