2-amino-N-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetyl]benzamide

C16H21N3O4 — CID 108529491

IUPAC2-amino-N-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetyl]benzamide
SMILESNc1ccccc1C(=O)NC(=O)C(=O)N1CCCCC1CCO
InChIInChI=1S/C16H21N3O4/c17-13-7-2-1-6-12(13)14(21)18-15(22)16(23)19-9-4-3-5-11(19)8-10-20/h1-2,6-7,11,20H,3-5,8-10,17H2,(H,18,21,22)
InChIKeyXATKJRYDILEIOK-UHFFFAOYSA-N
MW319.36 g/mol
LogP0.29
Rot. Bonds3

About 2-amino-N-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetyl]benzamide

2-amino-N-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetyl]benzamide (PubChem CID 108529491) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-amino-N-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetyl]benzamide
PubChem CID108529491
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name2-amino-N-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetyl]benzamide
SMILESNc1ccccc1C(=O)NC(=O)C(=O)N1CCCCC1CCO
InChIInChI=1S/C16H21N3O4/c17-13-7-2-1-6-12(13)14(21)18-15(22)16(23)19-9-4-3-5-11(19)8-10-20/h1-2,6-7,11,20H,3-5,8-10,17H2,(H,18,21,22)
InChIKeyXATKJRYDILEIOK-UHFFFAOYSA-N
XLogP0.29
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-N-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetyl]benzamide 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

2-amino-N-[2-(2-methylpiperidin-1-yl)-2-oxoacetyl]benzamide
CID 108523389
N-(2-fluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
CID 108520894
2-amino-N-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetyl]benzamide
CID 108524895
N-(2,6-difluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
CID 108522156
2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(3-methylphenyl)-2-oxoacetamide
CID 108515753
butyl 2-[[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetyl]amino]benzoate
CID 108514709
N-carbamoyl-2-[2-[(2R)-2-(2-hydroxyethyl)piperidine-1-carbonyl]anilino]acetamide
CID 95636491
(5-amino-2,4-dimethylphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 102704877
(5-amino-2-bromo-4-fluorophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62814891
N-(2-ethyl-6-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
CID 108512179
2-amino-N-(2-morpholin-4-yl-2-oxoacetyl)benzamide
CID 108509747
N-(2-aminobenzoyl)-N'-cyclohexyl-N'-methyloxamide
CID 108503788

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetyl]benzamide?
The IUPAC name of 2-amino-N-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetyl]benzamide (CID 108529491) is 2-amino-N-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetyl]benzamide.
What is the SMILES notation for 2-amino-N-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetyl]benzamide?
The canonical SMILES for 2-amino-N-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetyl]benzamide is Nc1ccccc1C(=O)NC(=O)C(=O)N1CCCCC1CCO.
What is the InChIKey of 2-amino-N-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetyl]benzamide?
The InChIKey is XATKJRYDILEIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c17-13-7-2-1-6-12(13)14(21)18-15(22)16(23)19-9-4-3-5-11(19)8-10-20/h1-2,6-7,11,20H,3-5,8-10,17H2,(H,18,21,22).
What are the key properties of 2-amino-N-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetyl]benzamide?
2-amino-N-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetyl]benzamide has a molecular weight of 319.36 g/mol, XLogP of 0.29, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetyl]benzamide is sourced from PubChem (CID 108529491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).