2-[4-(2-ethoxyethyl)-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide;hydrochloride

C12H24ClN3O4 — CID 110283561

IUPAC2-[4-(2-ethoxyethyl)-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide;hydrochloride
SMILESCCOCCN1CCNC(CC(=O)NCCO)C1=O.Cl
InChIInChI=1S/C12H23N3O4.ClH/c1-2-19-8-6-15-5-3-13-10(12(15)18)9-11(17)14-4-7-16;/h10,13,16H,2-9H2,1H3,(H,14,17);1H
InChIKeyUCYIKUQCYLJLAI-UHFFFAOYSA-N
MW309.79 g/mol
LogP-1.26
Rot. Bonds8

About 2-[4-(2-ethoxyethyl)-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide;hydrochloride

2-[4-(2-ethoxyethyl)-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide;hydrochloride (PubChem CID 110283561) has the molecular formula C12H24ClN3O4 and a molecular weight of 309.79 g/mol. Its IUPAC name is 2-[4-(2-ethoxyethyl)-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-(2-ethoxyethyl)-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide;hydrochloride
PubChem CID110283561
Molecular FormulaC12H24ClN3O4
Molecular Weight309.79 g/mol
Exact Mass309.15
IUPAC Name2-[4-(2-ethoxyethyl)-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide;hydrochloride
SMILESCCOCCN1CCNC(CC(=O)NCCO)C1=O.Cl
InChIInChI=1S/C12H23N3O4.ClH/c1-2-19-8-6-15-5-3-13-10(12(15)18)9-11(17)14-4-7-16;/h10,13,16H,2-9H2,1H3,(H,14,17);1H
InChIKeyUCYIKUQCYLJLAI-UHFFFAOYSA-N
XLogP-1.26
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethoxyethyl)-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide;hydrochloride?
The IUPAC name of 2-[4-(2-ethoxyethyl)-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide;hydrochloride (CID 110283561) is 2-[4-(2-ethoxyethyl)-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[4-(2-ethoxyethyl)-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide;hydrochloride?
The canonical SMILES for 2-[4-(2-ethoxyethyl)-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide;hydrochloride is CCOCCN1CCNC(CC(=O)NCCO)C1=O.Cl.
What is the InChIKey of 2-[4-(2-ethoxyethyl)-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide;hydrochloride?
The InChIKey is UCYIKUQCYLJLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4.ClH/c1-2-19-8-6-15-5-3-13-10(12(15)18)9-11(17)14-4-7-16;/h10,13,16H,2-9H2,1H3,(H,14,17);1H.
What are the key properties of 2-[4-(2-ethoxyethyl)-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide;hydrochloride?
2-[4-(2-ethoxyethyl)-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide;hydrochloride has a molecular weight of 309.79 g/mol, XLogP of -1.26, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethoxyethyl)-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide;hydrochloride is sourced from PubChem (CID 110283561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).