5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one

C23H26FN3O2 — CID 3240795

IUPAC5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
SMILESCc1ccc(CN2C(=O)CCC2C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C23H26FN3O2/c1-17-2-4-18(5-3-17)16-27-21(10-11-22(27)28)23(29)26-14-12-25(13-15-26)20-8-6-19(24)7-9-20/h2-9,21H,10-16H2,1H3
InChIKeyQSYGQODNVMUZET-UHFFFAOYSA-N
MW395.48 g/mol
LogP2.97
Rot. Bonds4

About 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one

5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one (PubChem CID 3240795) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
PubChem CID3240795
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
SMILESCc1ccc(CN2C(=O)CCC2C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C23H26FN3O2/c1-17-2-4-18(5-3-17)16-27-21(10-11-22(27)28)23(29)26-14-12-25(13-15-26)20-8-6-19(24)7-9-20/h2-9,21H,10-16H2,1H3
InChIKeyQSYGQODNVMUZET-UHFFFAOYSA-N
XLogP2.97
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one (CID 3240795) is 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one is Cc1ccc(CN2C(=O)CCC2C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
The InChIKey is QSYGQODNVMUZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-17-2-4-18(5-3-17)16-27-21(10-11-22(27)28)23(29)26-14-12-25(13-15-26)20-8-6-19(24)7-9-20/h2-9,21H,10-16H2,1H3.
What are the key properties of 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one has a molecular weight of 395.48 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 3240795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).