1-(1-benzothiophen-3-ylmethyl)-4-phenylpiperidine-2,6-dione

C20H17NO2S — CID 2826170

IUPAC1-(1-benzothiophen-3-ylmethyl)-4-phenylpiperidine-2,6-dione
SMILESO=C1CC(c2ccccc2)CC(=O)N1Cc1csc2ccccc12
InChIInChI=1S/C20H17NO2S/c22-19-10-15(14-6-2-1-3-7-14)11-20(23)21(19)12-16-13-24-18-9-5-4-8-17(16)18/h1-9,13,15H,10-12H2
InChIKeyFHRDPUNUXBYBKY-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.33
Rot. Bonds3

About 1-(1-benzothiophen-3-ylmethyl)-4-phenylpiperidine-2,6-dione

1-(1-benzothiophen-3-ylmethyl)-4-phenylpiperidine-2,6-dione (PubChem CID 2826170) has the molecular formula C20H17NO2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-ylmethyl)-4-phenylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-(1-benzothiophen-3-ylmethyl)-4-phenylpiperidine-2,6-dione
PubChem CID2826170
Molecular FormulaC20H17NO2S
Molecular Weight335.43 g/mol
Exact Mass335.10
IUPAC Name1-(1-benzothiophen-3-ylmethyl)-4-phenylpiperidine-2,6-dione
SMILESO=C1CC(c2ccccc2)CC(=O)N1Cc1csc2ccccc12
InChIInChI=1S/C20H17NO2S/c22-19-10-15(14-6-2-1-3-7-14)11-20(23)21(19)12-16-13-24-18-9-5-4-8-17(16)18/h1-9,13,15H,10-12H2
InChIKeyFHRDPUNUXBYBKY-UHFFFAOYSA-N
XLogP4.33
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.33
H-Bond Donors ≤ 50
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 1-(1-benzothiophen-3-ylmethyl)-4-phenylpiperidine-2,6-dione?
The IUPAC name of 1-(1-benzothiophen-3-ylmethyl)-4-phenylpiperidine-2,6-dione (CID 2826170) is 1-(1-benzothiophen-3-ylmethyl)-4-phenylpiperidine-2,6-dione.
What is the SMILES notation for 1-(1-benzothiophen-3-ylmethyl)-4-phenylpiperidine-2,6-dione?
The canonical SMILES for 1-(1-benzothiophen-3-ylmethyl)-4-phenylpiperidine-2,6-dione is O=C1CC(c2ccccc2)CC(=O)N1Cc1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-ylmethyl)-4-phenylpiperidine-2,6-dione?
The InChIKey is FHRDPUNUXBYBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2S/c22-19-10-15(14-6-2-1-3-7-14)11-20(23)21(19)12-16-13-24-18-9-5-4-8-17(16)18/h1-9,13,15H,10-12H2.
What are the key properties of 1-(1-benzothiophen-3-ylmethyl)-4-phenylpiperidine-2,6-dione?
1-(1-benzothiophen-3-ylmethyl)-4-phenylpiperidine-2,6-dione has a molecular weight of 335.43 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-ylmethyl)-4-phenylpiperidine-2,6-dione is sourced from PubChem (CID 2826170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).