4-(5-ethylthiophen-2-yl)-3-phenylpiperidine-2,6-dione

C17H17NO2S — CID 79310312

IUPAC4-(5-ethylthiophen-2-yl)-3-phenylpiperidine-2,6-dione
SMILESCCc1ccc(C2CC(=O)NC(=O)C2c2ccccc2)s1
InChIInChI=1S/C17H17NO2S/c1-2-12-8-9-14(21-12)13-10-15(19)18-17(20)16(13)11-6-4-3-5-7-11/h3-9,13,16H,2,10H2,1H3,(H,18,19,20)
InChIKeyVVTCJYVTCJKMGE-UHFFFAOYSA-N
MW299.39 g/mol
LogP3.22
Rot. Bonds3

About 4-(5-ethylthiophen-2-yl)-3-phenylpiperidine-2,6-dione

4-(5-ethylthiophen-2-yl)-3-phenylpiperidine-2,6-dione (PubChem CID 79310312) has the molecular formula C17H17NO2S and a molecular weight of 299.39 g/mol. Its IUPAC name is 4-(5-ethylthiophen-2-yl)-3-phenylpiperidine-2,6-dione.

Molecular Properties

Compound Name4-(5-ethylthiophen-2-yl)-3-phenylpiperidine-2,6-dione
PubChem CID79310312
Molecular FormulaC17H17NO2S
Molecular Weight299.39 g/mol
Exact Mass299.10
IUPAC Name4-(5-ethylthiophen-2-yl)-3-phenylpiperidine-2,6-dione
SMILESCCc1ccc(C2CC(=O)NC(=O)C2c2ccccc2)s1
InChIInChI=1S/C17H17NO2S/c1-2-12-8-9-14(21-12)13-10-15(19)18-17(20)16(13)11-6-4-3-5-7-11/h3-9,13,16H,2,10H2,1H3,(H,18,19,20)
InChIKeyVVTCJYVTCJKMGE-UHFFFAOYSA-N
XLogP3.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 53.22
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 4-(5-ethylthiophen-2-yl)-3-phenylpiperidine-2,6-dione?
The IUPAC name of 4-(5-ethylthiophen-2-yl)-3-phenylpiperidine-2,6-dione (CID 79310312) is 4-(5-ethylthiophen-2-yl)-3-phenylpiperidine-2,6-dione.
What is the SMILES notation for 4-(5-ethylthiophen-2-yl)-3-phenylpiperidine-2,6-dione?
The canonical SMILES for 4-(5-ethylthiophen-2-yl)-3-phenylpiperidine-2,6-dione is CCc1ccc(C2CC(=O)NC(=O)C2c2ccccc2)s1.
What is the InChIKey of 4-(5-ethylthiophen-2-yl)-3-phenylpiperidine-2,6-dione?
The InChIKey is VVTCJYVTCJKMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c1-2-12-8-9-14(21-12)13-10-15(19)18-17(20)16(13)11-6-4-3-5-7-11/h3-9,13,16H,2,10H2,1H3,(H,18,19,20).
What are the key properties of 4-(5-ethylthiophen-2-yl)-3-phenylpiperidine-2,6-dione?
4-(5-ethylthiophen-2-yl)-3-phenylpiperidine-2,6-dione has a molecular weight of 299.39 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethylthiophen-2-yl)-3-phenylpiperidine-2,6-dione is sourced from PubChem (CID 79310312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).