2-(3-formylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide

C15H20N2O2S — CID 62660823

IUPAC2-(3-formylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN1CCCC(C=O)C1
InChIInChI=1S/C15H20N2O2S/c1-20-14-7-3-2-6-13(14)16-15(19)10-17-8-4-5-12(9-17)11-18/h2-3,6-7,11-12H,4-5,8-10H2,1H3,(H,16,19)
InChIKeyZDCFBUGNELQQMF-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.26
Rot. Bonds5

About 2-(3-formylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide

2-(3-formylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 62660823) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-(3-formylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-formylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide
PubChem CID62660823
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name2-(3-formylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN1CCCC(C=O)C1
InChIInChI=1S/C15H20N2O2S/c1-20-14-7-3-2-6-13(14)16-15(19)10-17-8-4-5-12(9-17)11-18/h2-3,6-7,11-12H,4-5,8-10H2,1H3,(H,16,19)
InChIKeyZDCFBUGNELQQMF-UHFFFAOYSA-N
XLogP2.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-formylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)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-(4-amino-3-ethylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide
CID 81452018
2-[1-[2-(2-methylsulfanylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64618693
N-(3-ethylphenyl)-2-(3-formylpiperidin-1-yl)acetamide
CID 62656016
2-(3-formylpiperidin-1-yl)-N-methyl-N-phenylacetamide
CID 55099876
2-(3-formylpiperidin-1-yl)-N-(4-propylphenyl)acetamide
CID 62654217
N-[2-(cyanomethylsulfanyl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 2682247
N-[2-(difluoromethylsulfanyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 110878848
2-(3-formylpiperidin-1-yl)-N-(2,4,6-tribromophenyl)acetamide
CID 62660463
2-(3-formylpiperidin-1-yl)-N-(3-phenylpropyl)acetamide
CID 62660631
2-(3-formylpiperidin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 62656575
2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 18086210
N-(2-fluorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919928

Frequently Asked Questions

What is the IUPAC name of 2-(3-formylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(3-formylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide (CID 62660823) is 2-(3-formylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(3-formylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(3-formylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide is CSc1ccccc1NC(=O)CN1CCCC(C=O)C1.
What is the InChIKey of 2-(3-formylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is ZDCFBUGNELQQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-20-14-7-3-2-6-13(14)16-15(19)10-17-8-4-5-12(9-17)11-18/h2-3,6-7,11-12H,4-5,8-10H2,1H3,(H,16,19).
What are the key properties of 2-(3-formylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide?
2-(3-formylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 292.40 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-formylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 62660823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).