2-(2-formylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide

C13H18N2O2S — CID 62656444

IUPAC2-(2-formylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=CC1CCCCN1CC(=O)NCc1cccs1
InChIInChI=1S/C13H18N2O2S/c16-10-11-4-1-2-6-15(11)9-13(17)14-8-12-5-3-7-18-12/h3,5,7,10-11H,1-2,4,6,8-9H2,(H,14,17)
InChIKeyISODPGVQNCMWLK-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.42
Rot. Bonds5

About 2-(2-formylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide

2-(2-formylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 62656444) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-(2-formylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-formylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID62656444
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name2-(2-formylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=CC1CCCCN1CC(=O)NCc1cccs1
InChIInChI=1S/C13H18N2O2S/c16-10-11-4-1-2-6-15(11)9-13(17)14-8-12-5-3-7-18-12/h3,5,7,10-11H,1-2,4,6,8-9H2,(H,14,17)
InChIKeyISODPGVQNCMWLK-UHFFFAOYSA-N
XLogP1.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-formylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)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

2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 78942399
2-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]azepan-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 95974867
2-[2-(4-methylphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 42946126
2-[2-(2-methylphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 60505182
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 51199623
2-(2-formylpiperidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 62654429
2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 36899945
2-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 134001147
2-[2-(hydroxymethyl)azepan-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 116637722
2-[4-(fluoromethyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 171701259
N-ethyl-2-(2-formylpiperidin-1-yl)acetamide
CID 62655143
2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetic acid
CID 43521795

Frequently Asked Questions

What is the IUPAC name of 2-(2-formylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-formylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 62656444) is 2-(2-formylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-formylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-formylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide is O=CC1CCCCN1CC(=O)NCc1cccs1.
What is the InChIKey of 2-(2-formylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is ISODPGVQNCMWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c16-10-11-4-1-2-6-15(11)9-13(17)14-8-12-5-3-7-18-12/h3,5,7,10-11H,1-2,4,6,8-9H2,(H,14,17).
What are the key properties of 2-(2-formylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
2-(2-formylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 266.37 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 62656444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).