5-[4-[2-(2-fluorophenoxy)acetyl]piperazine-1-carbonyl]pyrrolidin-2-one

C17H20FN3O4 — CID 110804418

IUPAC5-[4-[2-(2-fluorophenoxy)acetyl]piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CCC(C(=O)N2CCN(C(=O)COc3ccccc3F)CC2)N1
InChIInChI=1S/C17H20FN3O4/c18-12-3-1-2-4-14(12)25-11-16(23)20-7-9-21(10-8-20)17(24)13-5-6-15(22)19-13/h1-4,13H,5-11H2,(H,19,22)
InChIKeyDQAXKLCYCCGBCL-UHFFFAOYSA-N
MW349.36 g/mol
LogP0.15
Rot. Bonds4

About 5-[4-[2-(2-fluorophenoxy)acetyl]piperazine-1-carbonyl]pyrrolidin-2-one

5-[4-[2-(2-fluorophenoxy)acetyl]piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 110804418) has the molecular formula C17H20FN3O4 and a molecular weight of 349.36 g/mol. Its IUPAC name is 5-[4-[2-(2-fluorophenoxy)acetyl]piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[4-[2-(2-fluorophenoxy)acetyl]piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID110804418
Molecular FormulaC17H20FN3O4
Molecular Weight349.36 g/mol
Exact Mass349.14
IUPAC Name5-[4-[2-(2-fluorophenoxy)acetyl]piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CCC(C(=O)N2CCN(C(=O)COc3ccccc3F)CC2)N1
InChIInChI=1S/C17H20FN3O4/c18-12-3-1-2-4-14(12)25-11-16(23)20-7-9-21(10-8-20)17(24)13-5-6-15(22)19-13/h1-4,13H,5-11H2,(H,19,22)
InChIKeyDQAXKLCYCCGBCL-UHFFFAOYSA-N
XLogP0.15
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-cyclopropylpiperazin-1-yl)-2-(2-fluorophenoxy)ethanone
CID 110708570
5-[4-[3-(4-fluorophenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 110666021
5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 14053707
5-[4-(2-phenylacetyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 110808253
N-cyclopropyl-2-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]acetamide
CID 51221112
(2-oxo-2-pyrrolidin-1-ylethyl) 2-(2-fluorophenoxy)acetate
CID 23885124
1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 55548613
1-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 124589814
1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 124611644
1-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 78849865
2-(2-fluorophenoxy)-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]ethanone
CID 126855116
2-(2-fluorophenoxy)-1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)azetidin-1-yl]ethanone
CID 56764735

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(2-fluorophenoxy)acetyl]piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 5-[4-[2-(2-fluorophenoxy)acetyl]piperazine-1-carbonyl]pyrrolidin-2-one (CID 110804418) is 5-[4-[2-(2-fluorophenoxy)acetyl]piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[4-[2-(2-fluorophenoxy)acetyl]piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 5-[4-[2-(2-fluorophenoxy)acetyl]piperazine-1-carbonyl]pyrrolidin-2-one is O=C1CCC(C(=O)N2CCN(C(=O)COc3ccccc3F)CC2)N1.
What is the InChIKey of 5-[4-[2-(2-fluorophenoxy)acetyl]piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is DQAXKLCYCCGBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O4/c18-12-3-1-2-4-14(12)25-11-16(23)20-7-9-21(10-8-20)17(24)13-5-6-15(22)19-13/h1-4,13H,5-11H2,(H,19,22).
What are the key properties of 5-[4-[2-(2-fluorophenoxy)acetyl]piperazine-1-carbonyl]pyrrolidin-2-one?
5-[4-[2-(2-fluorophenoxy)acetyl]piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 349.36 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(2-fluorophenoxy)acetyl]piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 110804418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).