3-(4-fluorophenyl)-4-(5-methylthiophen-2-yl)piperidine-2,6-dione

C16H14FNO2S — CID 79430191

IUPAC3-(4-fluorophenyl)-4-(5-methylthiophen-2-yl)piperidine-2,6-dione
SMILESCc1ccc(C2CC(=O)NC(=O)C2c2ccc(F)cc2)s1
InChIInChI=1S/C16H14FNO2S/c1-9-2-7-13(21-9)12-8-14(19)18-16(20)15(12)10-3-5-11(17)6-4-10/h2-7,12,15H,8H2,1H3,(H,18,19,20)
InChIKeyWWVUQDWQEPGMBU-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.11
Rot. Bonds2

About 3-(4-fluorophenyl)-4-(5-methylthiophen-2-yl)piperidine-2,6-dione

3-(4-fluorophenyl)-4-(5-methylthiophen-2-yl)piperidine-2,6-dione (PubChem CID 79430191) has the molecular formula C16H14FNO2S and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-(5-methylthiophen-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-(5-methylthiophen-2-yl)piperidine-2,6-dione
PubChem CID79430191
Molecular FormulaC16H14FNO2S
Molecular Weight303.36 g/mol
Exact Mass303.07
IUPAC Name3-(4-fluorophenyl)-4-(5-methylthiophen-2-yl)piperidine-2,6-dione
SMILESCc1ccc(C2CC(=O)NC(=O)C2c2ccc(F)cc2)s1
InChIInChI=1S/C16H14FNO2S/c1-9-2-7-13(21-9)12-8-14(19)18-16(20)15(12)10-3-5-11(17)6-4-10/h2-7,12,15H,8H2,1H3,(H,18,19,20)
InChIKeyWWVUQDWQEPGMBU-UHFFFAOYSA-N
XLogP3.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.11
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-(4-fluorophenyl)-4-(5-methylthiophen-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(4-fluorophenyl)-4-(5-methylthiophen-2-yl)piperidine-2,6-dione (CID 79430191) is 3-(4-fluorophenyl)-4-(5-methylthiophen-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(4-fluorophenyl)-4-(5-methylthiophen-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(4-fluorophenyl)-4-(5-methylthiophen-2-yl)piperidine-2,6-dione is Cc1ccc(C2CC(=O)NC(=O)C2c2ccc(F)cc2)s1.
What is the InChIKey of 3-(4-fluorophenyl)-4-(5-methylthiophen-2-yl)piperidine-2,6-dione?
The InChIKey is WWVUQDWQEPGMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2S/c1-9-2-7-13(21-9)12-8-14(19)18-16(20)15(12)10-3-5-11(17)6-4-10/h2-7,12,15H,8H2,1H3,(H,18,19,20).
What are the key properties of 3-(4-fluorophenyl)-4-(5-methylthiophen-2-yl)piperidine-2,6-dione?
3-(4-fluorophenyl)-4-(5-methylthiophen-2-yl)piperidine-2,6-dione has a molecular weight of 303.36 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-(5-methylthiophen-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 79430191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).