(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-propan-2-ylpyrrolidine-2,5-dione

C17H22FN3O2 — CID 7195453

IUPAC(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)N1C(=O)C[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1=O
InChIInChI=1S/C17H22FN3O2/c1-12(2)21-16(22)11-15(17(21)23)20-9-7-19(8-10-20)14-5-3-13(18)4-6-14/h3-6,12,15H,7-11H2,1-2H3/t15-/m1/s1
InChIKeyFIPHHOTZZXWWLW-OAHLLOKOSA-N
MW319.38 g/mol
LogP1.48
Rot. Bonds3

About (3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-propan-2-ylpyrrolidine-2,5-dione

(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 7195453) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is (3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-propan-2-ylpyrrolidine-2,5-dione
PubChem CID7195453
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)N1C(=O)C[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1=O
InChIInChI=1S/C17H22FN3O2/c1-12(2)21-16(22)11-15(17(21)23)20-9-7-19(8-10-20)14-5-3-13(18)4-6-14/h3-6,12,15H,7-11H2,1-2H3/t15-/m1/s1
InChIKeyFIPHHOTZZXWWLW-OAHLLOKOSA-N
XLogP1.48
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.48
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

3-[4-(4-fluorophenyl)piperazin-1-yl]-1-propan-2-ylpyrrolidine-2,5-dione
CID 2991993
(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 1381072
(3R)-1-(4-fluorophenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 1035324
(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-(2-methylsulfanylphenyl)pyrrolidine-2,5-dione
CID 51575256
1-(2,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2832607
(3R)-3-morpholin-4-yl-1-propan-2-ylpyrrolidine-2,5-dione
CID 7393878
3-piperazin-1-yl-1-propan-2-ylpyrrolidine-2,5-dione
CID 43636511
1-benzyl-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2988908
(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methoxypropyl)pyrrolidine-2,5-dione
CID 41253741
1-(4-butoxyphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2869099
(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 7305351
(3R)-1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 1115587

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-propan-2-ylpyrrolidine-2,5-dione (CID 7195453) is (3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-propan-2-ylpyrrolidine-2,5-dione is CC(C)N1C(=O)C[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1=O.
What is the InChIKey of (3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is FIPHHOTZZXWWLW-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-12(2)21-16(22)11-15(17(21)23)20-9-7-19(8-10-20)14-5-3-13(18)4-6-14/h3-6,12,15H,7-11H2,1-2H3/t15-/m1/s1.
What are the key properties of (3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-propan-2-ylpyrrolidine-2,5-dione?
(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 319.38 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 7195453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).