2-(3,5-dimethylpiperidin-1-yl)-2-oxo-N-prop-2-enylacetamide

C12H20N2O2 — CID 108520564

IUPAC2-(3,5-dimethylpiperidin-1-yl)-2-oxo-N-prop-2-enylacetamide
SMILESC=CCNC(=O)C(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C12H20N2O2/c1-4-5-13-11(15)12(16)14-7-9(2)6-10(3)8-14/h4,9-10H,1,5-8H2,2-3H3,(H,13,15)
InChIKeyVCWBKPABWYETDS-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.79
Rot. Bonds2

About 2-(3,5-dimethylpiperidin-1-yl)-2-oxo-N-prop-2-enylacetamide

2-(3,5-dimethylpiperidin-1-yl)-2-oxo-N-prop-2-enylacetamide (PubChem CID 108520564) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperidin-1-yl)-2-oxo-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpiperidin-1-yl)-2-oxo-N-prop-2-enylacetamide
PubChem CID108520564
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-(3,5-dimethylpiperidin-1-yl)-2-oxo-N-prop-2-enylacetamide
SMILESC=CCNC(=O)C(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C12H20N2O2/c1-4-5-13-11(15)12(16)14-7-9(2)6-10(3)8-14/h4,9-10H,1,5-8H2,2-3H3,(H,13,15)
InChIKeyVCWBKPABWYETDS-UHFFFAOYSA-N
XLogP0.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3,5-dimethylpiperidin-1-yl)-2-oxo-N-prop-2-enylacetamide 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-(4-methylpiperazin-1-yl)-2-oxo-N-prop-2-enylacetamide
CID 108517092
N-[3-(dimethylamino)propyl]-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108520549
(2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-prop-2-enylpropanamide
CID 94444756
N-[3-(diethylamino)propyl]-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108520548
3-methyl-N-prop-2-enylpiperidine-1-carboxamide
CID 108987828
N'-[(1,1-dioxothiolan-3-yl)methyl]-3,5-dimethyl-N-prop-2-enylpiperidine-1-carboximidamide;hydroiodide
CID 119130205
methyl 2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetate
CID 112683938
N-cycloheptyl-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108520617
N-[[3-(aminomethyl)phenyl]methyl]-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108518907
2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-N-prop-2-enylacetamide
CID 18588549
N-[1-cyclopropyl-3,4-dioxo-4-(prop-2-enylamino)butan-2-yl]-1,4-dimethylpyrrolidine-2-carboxamide
CID 143362697
(2S,4R)-1-acetyl-N-[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]-4-methylpyrrolidine-2-carboxamide;ethane;propane
CID 143356601

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-2-oxo-N-prop-2-enylacetamide?
The IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-2-oxo-N-prop-2-enylacetamide (CID 108520564) is 2-(3,5-dimethylpiperidin-1-yl)-2-oxo-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(3,5-dimethylpiperidin-1-yl)-2-oxo-N-prop-2-enylacetamide?
The canonical SMILES for 2-(3,5-dimethylpiperidin-1-yl)-2-oxo-N-prop-2-enylacetamide is C=CCNC(=O)C(=O)N1CC(C)CC(C)C1.
What is the InChIKey of 2-(3,5-dimethylpiperidin-1-yl)-2-oxo-N-prop-2-enylacetamide?
The InChIKey is VCWBKPABWYETDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-4-5-13-11(15)12(16)14-7-9(2)6-10(3)8-14/h4,9-10H,1,5-8H2,2-3H3,(H,13,15).
What are the key properties of 2-(3,5-dimethylpiperidin-1-yl)-2-oxo-N-prop-2-enylacetamide?
2-(3,5-dimethylpiperidin-1-yl)-2-oxo-N-prop-2-enylacetamide has a molecular weight of 224.30 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperidin-1-yl)-2-oxo-N-prop-2-enylacetamide is sourced from PubChem (CID 108520564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).