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

C17H22FN3O4S — CID 27377687

IUPAC1-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1CCS(=O)(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C17H22FN3O4S/c18-14-4-1-2-5-15(14)19-8-10-20(11-9-19)26(24,25)13-12-21-16(22)6-3-7-17(21)23/h1-2,4-5H,3,6-13H2
InChIKeyVANKDNRWJXYUAK-UHFFFAOYSA-N
MW383.45 g/mol
LogP0.82
Rot. Bonds5

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

1-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione (PubChem CID 27377687) has the molecular formula C17H22FN3O4S and a molecular weight of 383.45 g/mol. Its IUPAC name is 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione
PubChem CID27377687
Molecular FormulaC17H22FN3O4S
Molecular Weight383.45 g/mol
Exact Mass383.13
IUPAC Name1-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1CCS(=O)(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C17H22FN3O4S/c18-14-4-1-2-5-15(14)19-8-10-20(11-9-19)26(24,25)13-12-21-16(22)6-3-7-17(21)23/h1-2,4-5H,3,6-13H2
InChIKeyVANKDNRWJXYUAK-UHFFFAOYSA-N
XLogP0.82
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]piperidine-2,6-dione
CID 27377683
1-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione
CID 27377700
1-[2-[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione
CID 122335057
1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione
CID 27456819
1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione
CID 18106218
1-[2-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione
CID 122336212
2-cyclopentyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 18565382
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]cyclopropanecarboxamide
CID 7188764
1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 47520387
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]propanamide
CID 42175473
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-propylpentanamide
CID 41349364
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxyacetamide
CID 7188773

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione?
The IUPAC name of 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione (CID 27377687) is 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione?
The canonical SMILES for 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione is O=C1CCCC(=O)N1CCS(=O)(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione?
The InChIKey is VANKDNRWJXYUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O4S/c18-14-4-1-2-5-15(14)19-8-10-20(11-9-19)26(24,25)13-12-21-16(22)6-3-7-17(21)23/h1-2,4-5H,3,6-13H2.
What are the key properties of 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione?
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione has a molecular weight of 383.45 g/mol, XLogP of 0.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]piperidine-2,6-dione is sourced from PubChem (CID 27377687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).