2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-1-pyrrolidin-1-ylethanone

C18H24FN3O3 — CID 7328592

IUPAC2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-1-pyrrolidin-1-ylethanone
SMILESO=C(COCC(=O)N1CCN(c2ccccc2F)CC1)N1CCCC1
InChIInChI=1S/C18H24FN3O3/c19-15-5-1-2-6-16(15)20-9-11-22(12-10-20)18(24)14-25-13-17(23)21-7-3-4-8-21/h1-2,5-6H,3-4,7-14H2
InChIKeyLAABNBFTRGSCFY-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.11
Rot. Bonds5

About 2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-1-pyrrolidin-1-ylethanone

2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-1-pyrrolidin-1-ylethanone (PubChem CID 7328592) has the molecular formula C18H24FN3O3 and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-1-pyrrolidin-1-ylethanone
PubChem CID7328592
Molecular FormulaC18H24FN3O3
Molecular Weight349.41 g/mol
Exact Mass349.18
IUPAC Name2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-1-pyrrolidin-1-ylethanone
SMILESO=C(COCC(=O)N1CCN(c2ccccc2F)CC1)N1CCCC1
InChIInChI=1S/C18H24FN3O3/c19-15-5-1-2-6-16(15)20-9-11-22(12-10-20)18(24)14-25-13-17(23)21-7-3-4-8-21/h1-2,5-6H,3-4,7-14H2
InChIKeyLAABNBFTRGSCFY-UHFFFAOYSA-N
XLogP1.11
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenoxyethanone
CID 807242
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 108521142
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 115950323
N-(4-chlorophenyl)-2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]acetamide
CID 7328605
N-butyl-2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]acetamide
CID 7328573
2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-[(1R)-1-phenylethyl]acetamide
CID 41271013
2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-(4-methoxyphenyl)acetamide
CID 7328598
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[2-(hydroxymethyl)phenoxy]ethanone
CID 110891889
2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-[(2R)-heptan-2-yl]acetamide
CID 7328579
[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 40726915
1-[4-(2-fluorophenyl)piperazin-1-yl]-2,2-dimethyl-3-piperidin-1-ylpropane-1,3-dione
CID 108958783
4-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]butan-1-one
CID 22692254

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-1-pyrrolidin-1-ylethanone (CID 7328592) is 2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-1-pyrrolidin-1-ylethanone is O=C(COCC(=O)N1CCN(c2ccccc2F)CC1)N1CCCC1.
What is the InChIKey of 2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-1-pyrrolidin-1-ylethanone?
The InChIKey is LAABNBFTRGSCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O3/c19-15-5-1-2-6-16(15)20-9-11-22(12-10-20)18(24)14-25-13-17(23)21-7-3-4-8-21/h1-2,5-6H,3-4,7-14H2.
What are the key properties of 2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-1-pyrrolidin-1-ylethanone?
2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-1-pyrrolidin-1-ylethanone has a molecular weight of 349.41 g/mol, XLogP of 1.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 7328592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).