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

C22H24FN3O2 — CID 17080763

IUPAC4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-(2-methylphenyl)pyrrolidin-2-one
SMILESCc1ccccc1N1CC(C(=O)N2CCN(c3ccccc3F)CC2)CC1=O
InChIInChI=1S/C22H24FN3O2/c1-16-6-2-4-8-19(16)26-15-17(14-21(26)27)22(28)25-12-10-24(11-13-25)20-9-5-3-7-18(20)23/h2-9,17H,10-15H2,1H3
InChIKeyAIKUWYNHAALADF-UHFFFAOYSA-N
MW381.45 g/mol
LogP2.84
Rot. Bonds3

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

4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-(2-methylphenyl)pyrrolidin-2-one (PubChem CID 17080763) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-(2-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-(2-methylphenyl)pyrrolidin-2-one
PubChem CID17080763
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-(2-methylphenyl)pyrrolidin-2-one
SMILESCc1ccccc1N1CC(C(=O)N2CCN(c3ccccc3F)CC2)CC1=O
InChIInChI=1S/C22H24FN3O2/c1-16-6-2-4-8-19(16)26-15-17(14-21(26)27)22(28)25-12-10-24(11-13-25)20-9-5-3-7-18(20)23/h2-9,17H,10-15H2,1H3
InChIKeyAIKUWYNHAALADF-UHFFFAOYSA-N
XLogP2.84
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-(2-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-(2-methylphenyl)pyrrolidin-2-one (CID 17080763) is 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-(2-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-(2-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-(2-methylphenyl)pyrrolidin-2-one is Cc1ccccc1N1CC(C(=O)N2CCN(c3ccccc3F)CC2)CC1=O.
What is the InChIKey of 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-(2-methylphenyl)pyrrolidin-2-one?
The InChIKey is AIKUWYNHAALADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-16-6-2-4-8-19(16)26-15-17(14-21(26)27)22(28)25-12-10-24(11-13-25)20-9-5-3-7-18(20)23/h2-9,17H,10-15H2,1H3.
What are the key properties of 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-(2-methylphenyl)pyrrolidin-2-one?
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-(2-methylphenyl)pyrrolidin-2-one has a molecular weight of 381.45 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-(2-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 17080763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).