1-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3,3-dimethylpyrrolidine-2,5-dione

C19H24FN3O3 — CID 127038607

IUPAC1-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC(C(=O)N1CCN(c2ccc(F)cc2)CC1)N1C(=O)CC(C)(C)C1=O
InChIInChI=1S/C19H24FN3O3/c1-13(23-16(24)12-19(2,3)18(23)26)17(25)22-10-8-21(9-11-22)15-6-4-14(20)5-7-15/h4-7,13H,8-12H2,1-3H3
InChIKeyHMOCUGNCCATCJY-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.65
Rot. Bonds3

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

1-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3,3-dimethylpyrrolidine-2,5-dione (PubChem CID 127038607) has the molecular formula C19H24FN3O3 and a molecular weight of 361.42 g/mol. Its IUPAC name is 1-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3,3-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3,3-dimethylpyrrolidine-2,5-dione
PubChem CID127038607
Molecular FormulaC19H24FN3O3
Molecular Weight361.42 g/mol
Exact Mass361.18
IUPAC Name1-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC(C(=O)N1CCN(c2ccc(F)cc2)CC1)N1C(=O)CC(C)(C)C1=O
InChIInChI=1S/C19H24FN3O3/c1-13(23-16(24)12-19(2,3)18(23)26)17(25)22-10-8-21(9-11-22)15-6-4-14(20)5-7-15/h4-7,13H,8-12H2,1-3H3
InChIKeyHMOCUGNCCATCJY-UHFFFAOYSA-N
XLogP1.65
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 58778042
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)sulfonylpropan-1-one
CID 55818342
(2R)-2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119827512
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 78786208
(3aR,7aR)-2-[(2S)-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 7830185
(3aR,7aS)-2-[(2S)-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 7830186
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-hydroxypiperidin-1-yl)propan-1-one
CID 110884135
1-(4-aminopiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 119375838
3-[4-(4-fluorophenyl)piperazin-1-yl]-N'-hydroxy-2-methyl-3-oxopropanimidamide
CID 76925753
3-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-1H-quinazoline-2,4-dione
CID 4911305
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 78897651
(3S)-1-[(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]pyrrolidine-3-carboxamide
CID 94461656

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3,3-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3,3-dimethylpyrrolidine-2,5-dione (CID 127038607) is 1-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3,3-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3,3-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3,3-dimethylpyrrolidine-2,5-dione is CC(C(=O)N1CCN(c2ccc(F)cc2)CC1)N1C(=O)CC(C)(C)C1=O.
What is the InChIKey of 1-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3,3-dimethylpyrrolidine-2,5-dione?
The InChIKey is HMOCUGNCCATCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3/c1-13(23-16(24)12-19(2,3)18(23)26)17(25)22-10-8-21(9-11-22)15-6-4-14(20)5-7-15/h4-7,13H,8-12H2,1-3H3.
What are the key properties of 1-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3,3-dimethylpyrrolidine-2,5-dione?
1-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3,3-dimethylpyrrolidine-2,5-dione has a molecular weight of 361.42 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3,3-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 127038607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).