N-[2-(3,4-diethoxyphenyl)ethyl]-2-oxo-2-piperidin-1-ylacetamide

C19H28N2O4 — CID 108517275

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-2-oxo-2-piperidin-1-ylacetamide
SMILESCCOc1ccc(CCNC(=O)C(=O)N2CCCCC2)cc1OCC
InChIInChI=1S/C19H28N2O4/c1-3-24-16-9-8-15(14-17(16)25-4-2)10-11-20-18(22)19(23)21-12-6-5-7-13-21/h8-9,14H,3-7,10-13H2,1-2H3,(H,20,22)
InChIKeyDYEXMOBRJDBIRH-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.16
Rot. Bonds7

About N-[2-(3,4-diethoxyphenyl)ethyl]-2-oxo-2-piperidin-1-ylacetamide

N-[2-(3,4-diethoxyphenyl)ethyl]-2-oxo-2-piperidin-1-ylacetamide (PubChem CID 108517275) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-2-oxo-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-2-oxo-2-piperidin-1-ylacetamide
PubChem CID108517275
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-2-oxo-2-piperidin-1-ylacetamide
SMILESCCOc1ccc(CCNC(=O)C(=O)N2CCCCC2)cc1OCC
InChIInChI=1S/C19H28N2O4/c1-3-24-16-9-8-15(14-17(16)25-4-2)10-11-20-18(22)19(23)21-12-6-5-7-13-21/h8-9,14H,3-7,10-13H2,1-2H3,(H,20,22)
InChIKeyDYEXMOBRJDBIRH-UHFFFAOYSA-N
XLogP2.16
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(3,4-diethoxyphenyl)ethyl]-2-oxo-2-piperidin-1-ylacetamide 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-(3,4-diethoxyphenyl)ethyl]-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide
CID 108504049
N'-cycloheptyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide
CID 108529732
N'-cyclohexyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide
CID 108504420
N-[2-(3,4-diethoxyphenyl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 32560217
3,4-diethoxy-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide
CID 4280976
2-(azepan-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-oxoacetamide
CID 108985455
ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
CID 60637680
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide
CID 108518152
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(1,2,4-triazol-4-yl)oxamide
CID 108519171
N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylsulfanylacetamide
CID 112763526
N-[2-(3,4-diethoxyphenyl)ethyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55630550
1-butyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108888179

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-2-oxo-2-piperidin-1-ylacetamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-2-oxo-2-piperidin-1-ylacetamide (CID 108517275) is N-[2-(3,4-diethoxyphenyl)ethyl]-2-oxo-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-2-oxo-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-2-oxo-2-piperidin-1-ylacetamide is CCOc1ccc(CCNC(=O)C(=O)N2CCCCC2)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-2-oxo-2-piperidin-1-ylacetamide?
The InChIKey is DYEXMOBRJDBIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-3-24-16-9-8-15(14-17(16)25-4-2)10-11-20-18(22)19(23)21-12-6-5-7-13-21/h8-9,14H,3-7,10-13H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-2-oxo-2-piperidin-1-ylacetamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-2-oxo-2-piperidin-1-ylacetamide has a molecular weight of 348.44 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-2-oxo-2-piperidin-1-ylacetamide is sourced from PubChem (CID 108517275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).