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

C16H19FN4O3 — CID 110703473

IUPAC4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-methylpyrazolidine-3,5-dione
SMILESCN1NC(=O)C(CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1=O
InChIInChI=1S/C16H19FN4O3/c1-19-16(24)13(15(23)18-19)10-14(22)21-8-6-20(7-9-21)12-4-2-11(17)3-5-12/h2-5,13H,6-10H2,1H3,(H,18,23)
InChIKeyRENWOLVKMMZNGJ-UHFFFAOYSA-N
MW334.35 g/mol
LogP-0.02
Rot. Bonds3

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

4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-methylpyrazolidine-3,5-dione (PubChem CID 110703473) has the molecular formula C16H19FN4O3 and a molecular weight of 334.35 g/mol. Its IUPAC name is 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-methylpyrazolidine-3,5-dione.

Molecular Properties

Compound Name4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-methylpyrazolidine-3,5-dione
PubChem CID110703473
Molecular FormulaC16H19FN4O3
Molecular Weight334.35 g/mol
Exact Mass334.14
IUPAC Name4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-methylpyrazolidine-3,5-dione
SMILESCN1NC(=O)C(CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1=O
InChIInChI=1S/C16H19FN4O3/c1-19-16(24)13(15(23)18-19)10-14(22)21-8-6-20(7-9-21)12-4-2-11(17)3-5-12/h2-5,13H,6-10H2,1H3,(H,18,23)
InChIKeyRENWOLVKMMZNGJ-UHFFFAOYSA-N
XLogP-0.02
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
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

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(1-methylpyrrolidin-2-yl)ethanone
CID 110853309
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119827516
4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrazolidine-3,5-dione
CID 110703260
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxan-3-yl)ethanone
CID 110853314
2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 110703578
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(3R)-1-methylsulfonylpyrrolidin-3-yl]ethanone
CID 164643350
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995416
ethane;1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-methylhydrazinyl)ethanone
CID 142843333
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-one
CID 110839307
2-[3-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-3-oxopropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 87029948
3-cyclohexyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 898320

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-methylpyrazolidine-3,5-dione?
The IUPAC name of 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-methylpyrazolidine-3,5-dione (CID 110703473) is 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-methylpyrazolidine-3,5-dione.
What is the SMILES notation for 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-methylpyrazolidine-3,5-dione?
The canonical SMILES for 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-methylpyrazolidine-3,5-dione is CN1NC(=O)C(CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1=O.
What is the InChIKey of 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-methylpyrazolidine-3,5-dione?
The InChIKey is RENWOLVKMMZNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O3/c1-19-16(24)13(15(23)18-19)10-14(22)21-8-6-20(7-9-21)12-4-2-11(17)3-5-12/h2-5,13H,6-10H2,1H3,(H,18,23).
What are the key properties of 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-methylpyrazolidine-3,5-dione?
4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-methylpyrazolidine-3,5-dione has a molecular weight of 334.35 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-methylpyrazolidine-3,5-dione is sourced from PubChem (CID 110703473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).