4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazolidine-3,5-dione

C15H17FN4O3 — CID 110703277

IUPAC4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazolidine-3,5-dione
SMILESO=C1NNC(=O)C1CC(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C15H17FN4O3/c16-11-3-1-2-4-12(11)19-5-7-20(8-6-19)13(21)9-10-14(22)17-18-15(10)23/h1-4,10H,5-9H2,(H,17,22)(H,18,23)
InChIKeyVQIYXIXGJSLXND-UHFFFAOYSA-N
MW320.32 g/mol
LogP-0.36
Rot. Bonds3

About 4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazolidine-3,5-dione

4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazolidine-3,5-dione (PubChem CID 110703277) has the molecular formula C15H17FN4O3 and a molecular weight of 320.32 g/mol. Its IUPAC name is 4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazolidine-3,5-dione.

Molecular Properties

Compound Name4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazolidine-3,5-dione
PubChem CID110703277
Molecular FormulaC15H17FN4O3
Molecular Weight320.32 g/mol
Exact Mass320.13
IUPAC Name4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazolidine-3,5-dione
SMILESO=C1NNC(=O)C1CC(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C15H17FN4O3/c16-11-3-1-2-4-12(11)19-5-7-20(8-6-19)13(21)9-10-14(22)17-18-15(10)23/h1-4,10H,5-9H2,(H,17,22)(H,18,23)
InChIKeyVQIYXIXGJSLXND-UHFFFAOYSA-N
XLogP-0.36
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_B(12)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrazolidine-3,5-dione
CID 110703260
(3S)-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2,3-dihydroisoindol-1-one
CID 7660229
3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 75531953
(5S)-5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-dimethyl-5,7-dihydropyrrolo[2,3-d]pyrimidine-2,4,6-trione
CID 98220214
2-(cyclopropylmethylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119826997
cyclopropyl-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 34228816
(3S)-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 42537473
N-cyclopropyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113158364
5-[2-[4-(2,3-difluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 138034526
4-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]butan-1-one
CID 22692254
2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-1-pyrrolidin-1-ylethanone
CID 7328592
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-morpholin-4-ylpropane-1,3-dione
CID 108943475

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazolidine-3,5-dione?
The IUPAC name of 4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazolidine-3,5-dione (CID 110703277) is 4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazolidine-3,5-dione.
What is the SMILES notation for 4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazolidine-3,5-dione?
The canonical SMILES for 4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazolidine-3,5-dione is O=C1NNC(=O)C1CC(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazolidine-3,5-dione?
The InChIKey is VQIYXIXGJSLXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O3/c16-11-3-1-2-4-12(11)19-5-7-20(8-6-19)13(21)9-10-14(22)17-18-15(10)23/h1-4,10H,5-9H2,(H,17,22)(H,18,23).
What are the key properties of 4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazolidine-3,5-dione?
4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazolidine-3,5-dione has a molecular weight of 320.32 g/mol, XLogP of -0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazolidine-3,5-dione is sourced from PubChem (CID 110703277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).