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

C14H19N3O4 — CID 108514264

IUPAC2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-hydroxyphenyl)-2-oxoacetamide
SMILESO=C(Nc1ccccc1O)C(=O)N1CCN(CCO)CC1
InChIInChI=1S/C14H19N3O4/c18-10-9-16-5-7-17(8-6-16)14(21)13(20)15-11-3-1-2-4-12(11)19/h1-4,18-19H,5-10H2,(H,15,20)
InChIKeyGVLVIAPGIPLNMQ-UHFFFAOYSA-N
MW293.32 g/mol
LogP-0.53
Rot. Bonds3

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

2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-hydroxyphenyl)-2-oxoacetamide (PubChem CID 108514264) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-hydroxyphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-hydroxyphenyl)-2-oxoacetamide
PubChem CID108514264
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-hydroxyphenyl)-2-oxoacetamide
SMILESO=C(Nc1ccccc1O)C(=O)N1CCN(CCO)CC1
InChIInChI=1S/C14H19N3O4/c18-10-9-16-5-7-17(8-6-16)14(21)13(20)15-11-3-1-2-4-12(11)19/h1-4,18-19H,5-10H2,(H,15,20)
InChIKeyGVLVIAPGIPLNMQ-UHFFFAOYSA-N
XLogP-0.53
TPSA93.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetyl]amino]benzoate
CID 108501814
N-(2-hydroxyphenyl)-2-oxo-2-piperidin-1-ylacetamide
CID 108514226
2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-quinolin-8-ylacetamide
CID 108522906
N-(2-hydroxyphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
CID 108514381
N-(3-bromophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide
CID 108522875
N-(4-tert-butylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide
CID 108522878
2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-(2,4,6-trimethylphenyl)acetamide
CID 108512226
2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxo-N-(2-phenylsulfanylphenyl)acetamide
CID 108515107
2-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)-2-oxoacetamide
CID 44892193
N-(2-hydroxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108514363
4-(2-hydroxyethyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 43393054
2-[[2-(4-ethylpiperazin-1-yl)-2-oxoacetyl]amino]benzamide
CID 108529326

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-hydroxyphenyl)-2-oxoacetamide?
The IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-hydroxyphenyl)-2-oxoacetamide (CID 108514264) is 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-hydroxyphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-hydroxyphenyl)-2-oxoacetamide?
The canonical SMILES for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-hydroxyphenyl)-2-oxoacetamide is O=C(Nc1ccccc1O)C(=O)N1CCN(CCO)CC1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-hydroxyphenyl)-2-oxoacetamide?
The InChIKey is GVLVIAPGIPLNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c18-10-9-16-5-7-17(8-6-16)14(21)13(20)15-11-3-1-2-4-12(11)19/h1-4,18-19H,5-10H2,(H,15,20).
What are the key properties of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-hydroxyphenyl)-2-oxoacetamide?
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-hydroxyphenyl)-2-oxoacetamide has a molecular weight of 293.32 g/mol, XLogP of -0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-hydroxyphenyl)-2-oxoacetamide is sourced from PubChem (CID 108514264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).