2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxo-N-prop-2-enylacetamide

C12H20N2O3 — CID 108526472

IUPAC2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxo-N-prop-2-enylacetamide
SMILESC=CCNC(=O)C(=O)N1CCCCC1CCO
InChIInChI=1S/C12H20N2O3/c1-2-7-13-11(16)12(17)14-8-4-3-5-10(14)6-9-15/h2,10,15H,1,3-9H2,(H,13,16)
InChIKeyATHSJYKCQWYGJX-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.05
Rot. Bonds4

About 2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxo-N-prop-2-enylacetamide

2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxo-N-prop-2-enylacetamide (PubChem CID 108526472) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxo-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxo-N-prop-2-enylacetamide
PubChem CID108526472
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxo-N-prop-2-enylacetamide
SMILESC=CCNC(=O)C(=O)N1CCCCC1CCO
InChIInChI=1S/C12H20N2O3/c1-2-7-13-11(16)12(17)14-8-4-3-5-10(14)6-9-15/h2,10,15H,1,3-9H2,(H,13,16)
InChIKeyATHSJYKCQWYGJX-UHFFFAOYSA-N
XLogP0.05
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(2-methoxyethyl)-2-oxoacetamide
CID 108505067
2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetic acid
CID 43445645
N-(2,6-difluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
CID 108522156
2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 108530292
N-cyclopentyl-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 78942638
2-(2-hydroxyethyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 60956630
4-[2-(2-hydroxyethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 63784488
N-(2-fluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
CID 108520894
2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide
CID 108527661
4-(2-ethylpiperidine-1-carbonyl)-N-prop-2-enylcyclohexane-1-carboxamide
CID 109144922
N-(2,5-dimethylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
CID 108531033
2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(3-methylphenyl)-2-oxoacetamide
CID 108515753

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxo-N-prop-2-enylacetamide?
The IUPAC name of 2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxo-N-prop-2-enylacetamide (CID 108526472) is 2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxo-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxo-N-prop-2-enylacetamide?
The canonical SMILES for 2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxo-N-prop-2-enylacetamide is C=CCNC(=O)C(=O)N1CCCCC1CCO.
What is the InChIKey of 2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxo-N-prop-2-enylacetamide?
The InChIKey is ATHSJYKCQWYGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-2-7-13-11(16)12(17)14-8-4-3-5-10(14)6-9-15/h2,10,15H,1,3-9H2,(H,13,16).
What are the key properties of 2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxo-N-prop-2-enylacetamide?
2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxo-N-prop-2-enylacetamide has a molecular weight of 240.30 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxo-N-prop-2-enylacetamide is sourced from PubChem (CID 108526472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).