1-(2-fluorophenyl)-4-[4-(2-phenoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one

C23H24FN3O4 — CID 42652011

IUPAC1-(2-fluorophenyl)-4-[4-(2-phenoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C(COc1ccccc1)N1CCN(C(=O)C2CC(=O)N(c3ccccc3F)C2)CC1
InChIInChI=1S/C23H24FN3O4/c24-19-8-4-5-9-20(19)27-15-17(14-21(27)28)23(30)26-12-10-25(11-13-26)22(29)16-31-18-6-2-1-3-7-18/h1-9,17H,10-16H2
InChIKeyKVXIFPIOQVAFBN-UHFFFAOYSA-N
MW425.46 g/mol
LogP1.93
Rot. Bonds5

About 1-(2-fluorophenyl)-4-[4-(2-phenoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one

1-(2-fluorophenyl)-4-[4-(2-phenoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 42652011) has the molecular formula C23H24FN3O4 and a molecular weight of 425.46 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-[4-(2-phenoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-[4-(2-phenoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID42652011
Molecular FormulaC23H24FN3O4
Molecular Weight425.46 g/mol
Exact Mass425.18
IUPAC Name1-(2-fluorophenyl)-4-[4-(2-phenoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C(COc1ccccc1)N1CCN(C(=O)C2CC(=O)N(c3ccccc3F)C2)CC1
InChIInChI=1S/C23H24FN3O4/c24-19-8-4-5-9-20(19)27-15-17(14-21(27)28)23(30)26-12-10-25(11-13-26)22(29)16-31-18-6-2-1-3-7-18/h1-9,17H,10-16H2
InChIKeyKVXIFPIOQVAFBN-UHFFFAOYSA-N
XLogP1.93
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 51175375
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenoxyethanone
CID 807242
1-(2-fluorophenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 42650970
1-(2-fluorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 46663955
4-[4-(2-phenoxyacetyl)-1,4-diazepane-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 108546365
1-(2-methoxyethyl)-4-[4-(2-phenoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 110346317
N,N-diethyl-2-[4-[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]acetamide
CID 55446956
(4S)-1-(2-fluorophenyl)-4-[4-(2-methoxybenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 29140373
1-(2-fluorophenyl)-4-[4-(furan-3-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 43060556
1-(2-fluoro-4-methylphenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 55604654
1-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
CID 55630806
4-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 17118737

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-[4-(2-phenoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(2-fluorophenyl)-4-[4-(2-phenoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 42652011) is 1-(2-fluorophenyl)-4-[4-(2-phenoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(2-fluorophenyl)-4-[4-(2-phenoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(2-fluorophenyl)-4-[4-(2-phenoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one is O=C(COc1ccccc1)N1CCN(C(=O)C2CC(=O)N(c3ccccc3F)C2)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-4-[4-(2-phenoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is KVXIFPIOQVAFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O4/c24-19-8-4-5-9-20(19)27-15-17(14-21(27)28)23(30)26-12-10-25(11-13-26)22(29)16-31-18-6-2-1-3-7-18/h1-9,17H,10-16H2.
What are the key properties of 1-(2-fluorophenyl)-4-[4-(2-phenoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one?
1-(2-fluorophenyl)-4-[4-(2-phenoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 425.46 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-[4-(2-phenoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 42652011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).