2-(2-fluorophenyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone

C18H24FN3O2 — CID 9117208

IUPAC2-(2-fluorophenyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccc1F)N1CCN(CC(=O)N2CCCC2)CC1
InChIInChI=1S/C18H24FN3O2/c19-16-6-2-1-5-15(16)13-17(23)22-11-9-20(10-12-22)14-18(24)21-7-3-4-8-21/h1-2,5-6H,3-4,7-14H2
InChIKeyMBSRZCMHBSKNRE-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.13
Rot. Bonds4

About 2-(2-fluorophenyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone

2-(2-fluorophenyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone (PubChem CID 9117208) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
PubChem CID9117208
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name2-(2-fluorophenyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccc1F)N1CCN(CC(=O)N2CCCC2)CC1
InChIInChI=1S/C18H24FN3O2/c19-16-6-2-1-5-15(16)13-17(23)22-11-9-20(10-12-22)14-18(24)21-7-3-4-8-21/h1-2,5-6H,3-4,7-14H2
InChIKeyMBSRZCMHBSKNRE-UHFFFAOYSA-N
XLogP1.13
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone (CID 9117208) is 2-(2-fluorophenyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone is O=C(Cc1ccccc1F)N1CCN(CC(=O)N2CCCC2)CC1.
What is the InChIKey of 2-(2-fluorophenyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone?
The InChIKey is MBSRZCMHBSKNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2/c19-16-6-2-1-5-15(16)13-17(23)22-11-9-20(10-12-22)14-18(24)21-7-3-4-8-21/h1-2,5-6H,3-4,7-14H2.
What are the key properties of 2-(2-fluorophenyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone?
2-(2-fluorophenyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone has a molecular weight of 333.41 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 9117208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).