1-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]piperidine-2,6-dione

C17H23N3O4S — CID 27377683

IUPAC1-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1CCS(=O)(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H23N3O4S/c21-16-7-4-8-17(22)20(16)13-14-25(23,24)19-11-9-18(10-12-19)15-5-2-1-3-6-15/h1-3,5-6H,4,7-14H2
InChIKeyZCONFOXPSCLWKG-UHFFFAOYSA-N
MW365.46 g/mol
LogP0.68
Rot. Bonds5

About 1-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]piperidine-2,6-dione

1-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]piperidine-2,6-dione (PubChem CID 27377683) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is 1-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]piperidine-2,6-dione
PubChem CID27377683
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC Name1-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1CCS(=O)(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H23N3O4S/c21-16-7-4-8-17(22)20(16)13-14-25(23,24)19-11-9-18(10-12-19)15-5-2-1-3-6-15/h1-3,5-6H,4,7-14H2
InChIKeyZCONFOXPSCLWKG-UHFFFAOYSA-N
XLogP0.68
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]piperidine-2,6-dione?
The IUPAC name of 1-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]piperidine-2,6-dione (CID 27377683) is 1-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]piperidine-2,6-dione?
The canonical SMILES for 1-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]piperidine-2,6-dione is O=C1CCCC(=O)N1CCS(=O)(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]piperidine-2,6-dione?
The InChIKey is ZCONFOXPSCLWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c21-16-7-4-8-17(22)20(16)13-14-25(23,24)19-11-9-18(10-12-19)15-5-2-1-3-6-15/h1-3,5-6H,4,7-14H2.
What are the key properties of 1-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]piperidine-2,6-dione?
1-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]piperidine-2,6-dione has a molecular weight of 365.46 g/mol, XLogP of 0.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]piperidine-2,6-dione is sourced from PubChem (CID 27377683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).