2-(4-carbamothioylphenoxy)-N-(6-oxopiperidin-3-yl)acetamide

C14H17N3O3S — CID 63661589

IUPAC2-(4-carbamothioylphenoxy)-N-(6-oxopiperidin-3-yl)acetamide
SMILESNC(=S)c1ccc(OCC(=O)NC2CCC(=O)NC2)cc1
InChIInChI=1S/C14H17N3O3S/c15-14(21)9-1-4-11(5-2-9)20-8-13(19)17-10-3-6-12(18)16-7-10/h1-2,4-5,10H,3,6-8H2,(H2,15,21)(H,16,18)(H,17,19)
InChIKeyUYSVWIJGLOVFCX-UHFFFAOYSA-N
MW307.38 g/mol
LogP0.09
Rot. Bonds5

About 2-(4-carbamothioylphenoxy)-N-(6-oxopiperidin-3-yl)acetamide

2-(4-carbamothioylphenoxy)-N-(6-oxopiperidin-3-yl)acetamide (PubChem CID 63661589) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-(4-carbamothioylphenoxy)-N-(6-oxopiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-carbamothioylphenoxy)-N-(6-oxopiperidin-3-yl)acetamide
PubChem CID63661589
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name2-(4-carbamothioylphenoxy)-N-(6-oxopiperidin-3-yl)acetamide
SMILESNC(=S)c1ccc(OCC(=O)NC2CCC(=O)NC2)cc1
InChIInChI=1S/C14H17N3O3S/c15-14(21)9-1-4-11(5-2-9)20-8-13(19)17-10-3-6-12(18)16-7-10/h1-2,4-5,10H,3,6-8H2,(H2,15,21)(H,16,18)(H,17,19)
InChIKeyUYSVWIJGLOVFCX-UHFFFAOYSA-N
XLogP0.09
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-carbamothioylphenoxy)-N-(6-oxopiperidin-3-yl)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-bromophenoxy)-N-(6-oxopiperidin-3-yl)acetamide
CID 55210132
4-[2-oxo-2-(pyrrolidin-3-ylamino)ethoxy]benzamide
CID 119451956
2-(2-cyanophenoxy)-N-(6-oxopiperidin-3-yl)acetamide
CID 62897007
4-[2-oxo-2-(piperidin-3-ylamino)ethoxy]benzamide
CID 119426792
2-(3,4-dimethylphenoxy)-N-(5-oxopyrrolidin-3-yl)acetamide
CID 146131599
2-(4-carbamothioylphenoxy)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide
CID 80714915
3-(4-methoxyphenyl)-N-(6-oxopiperidin-3-yl)propanamide
CID 62490109
3-(3,5-dimethylphenoxy)-N-(6-oxopiperidin-3-yl)propanamide
CID 62898121
2-(4-iodophenoxy)-N-piperidin-4-ylacetamide
CID 119389070
4-(N'-hydroxycarbamimidoyl)-N-(6-oxopiperidin-3-yl)benzamide
CID 77004005
4-methyl-N-[2-oxo-2-[(6-oxopiperidin-3-yl)amino]ethyl]benzamide
CID 63373381
N-(4-oxocyclohexyl)-2-phenoxyacetamide
CID 43652791

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamothioylphenoxy)-N-(6-oxopiperidin-3-yl)acetamide?
The IUPAC name of 2-(4-carbamothioylphenoxy)-N-(6-oxopiperidin-3-yl)acetamide (CID 63661589) is 2-(4-carbamothioylphenoxy)-N-(6-oxopiperidin-3-yl)acetamide.
What is the SMILES notation for 2-(4-carbamothioylphenoxy)-N-(6-oxopiperidin-3-yl)acetamide?
The canonical SMILES for 2-(4-carbamothioylphenoxy)-N-(6-oxopiperidin-3-yl)acetamide is NC(=S)c1ccc(OCC(=O)NC2CCC(=O)NC2)cc1.
What is the InChIKey of 2-(4-carbamothioylphenoxy)-N-(6-oxopiperidin-3-yl)acetamide?
The InChIKey is UYSVWIJGLOVFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c15-14(21)9-1-4-11(5-2-9)20-8-13(19)17-10-3-6-12(18)16-7-10/h1-2,4-5,10H,3,6-8H2,(H2,15,21)(H,16,18)(H,17,19).
What are the key properties of 2-(4-carbamothioylphenoxy)-N-(6-oxopiperidin-3-yl)acetamide?
2-(4-carbamothioylphenoxy)-N-(6-oxopiperidin-3-yl)acetamide has a molecular weight of 307.38 g/mol, XLogP of 0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamothioylphenoxy)-N-(6-oxopiperidin-3-yl)acetamide is sourced from PubChem (CID 63661589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).