3-benzyl-4-thiophen-3-ylpiperidine-2,6-dione

C16H15NO2S — CID 79318174

IUPAC3-benzyl-4-thiophen-3-ylpiperidine-2,6-dione
SMILESO=C1CC(c2ccsc2)C(Cc2ccccc2)C(=O)N1
InChIInChI=1S/C16H15NO2S/c18-15-9-13(12-6-7-20-10-12)14(16(19)17-15)8-11-4-2-1-3-5-11/h1-7,10,13-14H,8-9H2,(H,17,18,19)
InChIKeyBVQFUIVOFNBRLW-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.74
Rot. Bonds3

About 3-benzyl-4-thiophen-3-ylpiperidine-2,6-dione

3-benzyl-4-thiophen-3-ylpiperidine-2,6-dione (PubChem CID 79318174) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-benzyl-4-thiophen-3-ylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-benzyl-4-thiophen-3-ylpiperidine-2,6-dione
PubChem CID79318174
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC Name3-benzyl-4-thiophen-3-ylpiperidine-2,6-dione
SMILESO=C1CC(c2ccsc2)C(Cc2ccccc2)C(=O)N1
InChIInChI=1S/C16H15NO2S/c18-15-9-13(12-6-7-20-10-12)14(16(19)17-15)8-11-4-2-1-3-5-11/h1-7,10,13-14H,8-9H2,(H,17,18,19)
InChIKeyBVQFUIVOFNBRLW-UHFFFAOYSA-N
XLogP2.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-thiophen-3-ylpiperidine-2,6-dione?
The IUPAC name of 3-benzyl-4-thiophen-3-ylpiperidine-2,6-dione (CID 79318174) is 3-benzyl-4-thiophen-3-ylpiperidine-2,6-dione.
What is the SMILES notation for 3-benzyl-4-thiophen-3-ylpiperidine-2,6-dione?
The canonical SMILES for 3-benzyl-4-thiophen-3-ylpiperidine-2,6-dione is O=C1CC(c2ccsc2)C(Cc2ccccc2)C(=O)N1.
What is the InChIKey of 3-benzyl-4-thiophen-3-ylpiperidine-2,6-dione?
The InChIKey is BVQFUIVOFNBRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c18-15-9-13(12-6-7-20-10-12)14(16(19)17-15)8-11-4-2-1-3-5-11/h1-7,10,13-14H,8-9H2,(H,17,18,19).
What are the key properties of 3-benzyl-4-thiophen-3-ylpiperidine-2,6-dione?
3-benzyl-4-thiophen-3-ylpiperidine-2,6-dione has a molecular weight of 285.37 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-thiophen-3-ylpiperidine-2,6-dione is sourced from PubChem (CID 79318174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).