3-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C19H23FN4O5S — CID 24819748

IUPAC3-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C19H23FN4O5S/c20-14-5-1-2-6-15(14)30(28,29)23-11-9-22(10-12-23)16(25)13-24-17(26)19(21-18(24)27)7-3-4-8-19/h1-2,5-6H,3-4,7-13H2,(H,21,27)
InChIKeyQEONBHQGIKHYJH-UHFFFAOYSA-N
MW438.48 g/mol
LogP0.52
Rot. Bonds4

About 3-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

3-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 24819748) has the molecular formula C19H23FN4O5S and a molecular weight of 438.48 g/mol. Its IUPAC name is 3-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID24819748
Molecular FormulaC19H23FN4O5S
Molecular Weight438.48 g/mol
Exact Mass438.14
IUPAC Name3-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C19H23FN4O5S/c20-14-5-1-2-6-15(14)30(28,29)23-11-9-22(10-12-23)16(25)13-24-17(26)19(21-18(24)27)7-3-4-8-19/h1-2,5-6H,3-4,7-13H2,(H,21,27)
InChIKeyQEONBHQGIKHYJH-UHFFFAOYSA-N
XLogP0.52
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,3-Bis[(2-fluorophenyl)sulfonyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 2545559
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 18268734
3-[2-[4-(2,5-Dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 25161811
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 25392418
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 155517430
3-[2-[4-(3-Fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4843577
2-[[4-(2,4-Difluorophenyl)sulfonylpiperazin-1-yl]methyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 16296146
5-Cyclopropyl-3-[2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 16287521
3-[4-[4-(Benzenesulfonyl)piperazin-1-yl]-4-oxobutyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 16304277
3-[4-[4-(3,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxobutyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 16314504
1-[(4-fluorophenyl)sulfonyl]-N-[(2S)-3-methyl-1-oxo-1-(pyrrolidin-1-yl)butan-2-yl]piperidine-4-carboxamide
CID 17585216
2-[4-[2-(2,4-Dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile
CID 24686845

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 24819748) is 3-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of 3-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is QEONBHQGIKHYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O5S/c20-14-5-1-2-6-15(14)30(28,29)23-11-9-22(10-12-23)16(25)13-24-17(26)19(21-18(24)27)7-3-4-8-19/h1-2,5-6H,3-4,7-13H2,(H,21,27).
What are the key properties of 3-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 438.48 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 24819748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).