N,N-bis(2-hydroxyethyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

C15H22N4O4 — CID 108510007

IUPACN,N-bis(2-hydroxyethyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESO=C(C(=O)N1CCN(c2ccccn2)CC1)N(CCO)CCO
InChIInChI=1S/C15H22N4O4/c20-11-9-19(10-12-21)15(23)14(22)18-7-5-17(6-8-18)13-3-1-2-4-16-13/h1-4,20-21H,5-12H2
InChIKeyLKTWMDPQTZEUFJ-UHFFFAOYSA-N
MW322.37 g/mol
LogP-1.46
Rot. Bonds5

About N,N-bis(2-hydroxyethyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

N,N-bis(2-hydroxyethyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (PubChem CID 108510007) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
PubChem CID108510007
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC NameN,N-bis(2-hydroxyethyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESO=C(C(=O)N1CCN(c2ccccn2)CC1)N(CCO)CCO
InChIInChI=1S/C15H22N4O4/c20-11-9-19(10-12-21)15(23)14(22)18-7-5-17(6-8-18)13-3-1-2-4-16-13/h1-4,20-21H,5-12H2
InChIKeyLKTWMDPQTZEUFJ-UHFFFAOYSA-N
XLogP-1.46
TPSA97.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 5-1.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N,N-bis(2-hydroxyethyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxyethyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108528029
1-(4-acetylpiperazin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108508501
N-benzyl-2-oxo-N-propan-2-yl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108503615
2-hydroxyethyl 4-pyridin-2-ylpiperazine-1-carboxylate
CID 79346353
N-cyclohexyl-N-methyl-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108503873
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110696951
N-tert-butyl-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108506944
1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone
CID 122598259
2,2,2-trichloro-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 885984
3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 17217465

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (CID 108510007) is N,N-bis(2-hydroxyethyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is O=C(C(=O)N1CCN(c2ccccn2)CC1)N(CCO)CCO.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is LKTWMDPQTZEUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4/c20-11-9-19(10-12-21)15(23)14(22)18-7-5-17(6-8-18)13-3-1-2-4-16-13/h1-4,20-21H,5-12H2.
What are the key properties of N,N-bis(2-hydroxyethyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
N,N-bis(2-hydroxyethyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 322.37 g/mol, XLogP of -1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 108510007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).