N-ethyl-N-(2-hydroxyethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide

C12H23N3O4 — CID 108522829

IUPACN-ethyl-N-(2-hydroxyethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide
SMILESCCN(CCO)C(=O)C(=O)N1CCN(CCO)CC1
InChIInChI=1S/C12H23N3O4/c1-2-14(8-10-17)11(18)12(19)15-5-3-13(4-6-15)7-9-16/h16-17H,2-10H2,1H3
InChIKeyHGNQWVIXPBTHHS-UHFFFAOYSA-N
MW273.33 g/mol
LogP-2.04
Rot. Bonds5

About N-ethyl-N-(2-hydroxyethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide

N-ethyl-N-(2-hydroxyethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide (PubChem CID 108522829) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide
PubChem CID108522829
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide
SMILESCCN(CCO)C(=O)C(=O)N1CCN(CCO)CC1
InChIInChI=1S/C12H23N3O4/c1-2-14(8-10-17)11(18)12(19)15-5-3-13(4-6-15)7-9-16/h16-17H,2-10H2,1H3
InChIKeyHGNQWVIXPBTHHS-UHFFFAOYSA-N
XLogP-2.04
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 5-2.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-(2-hydroxyethyl)-2-oxo-2-piperidin-1-ylacetamide
CID 108517236
N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-hydroxyethyl)-2-oxoacetamide
CID 108514106
1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 4739629
ethyl 4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate
CID 108522953
ethyl 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetate
CID 60894850
N-[2-(dimethylamino)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide
CID 108522874
2-(2,6-dimethylpiperidin-1-yl)-N-ethyl-N-(2-hydroxyethyl)-2-oxoacetamide
CID 108524852
2-[4-(2-aminoethyl)piperazin-1-yl]-N,N-bis(2-methoxyethyl)-2-oxoacetamide
CID 108517898
2-[4-(2-aminoethyl)piperazin-1-yl]-N-butyl-N-methyl-2-oxoacetamide
CID 108517896
4-(2-hydroxyethyl)-N,N-dimethyl-1,4-diazepane-1-carboxamide
CID 78942634
4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]-methylamino]butanoic acid
CID 43592289
N,N-diethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]cyclopropane-1-carboxamide
CID 130370626

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide (CID 108522829) is N-ethyl-N-(2-hydroxyethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide is CCN(CCO)C(=O)C(=O)N1CCN(CCO)CC1.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide?
The InChIKey is HGNQWVIXPBTHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-2-14(8-10-17)11(18)12(19)15-5-3-13(4-6-15)7-9-16/h16-17H,2-10H2,1H3.
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide?
N-ethyl-N-(2-hydroxyethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide has a molecular weight of 273.33 g/mol, XLogP of -2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 108522829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).