5-[4-[3-(4-fluorophenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one

C18H22FN3O3 — CID 110666021

IUPAC5-[4-[3-(4-fluorophenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CCC(C(=O)N2CCN(C(=O)CCc3ccc(F)cc3)CC2)N1
InChIInChI=1S/C18H22FN3O3/c19-14-4-1-13(2-5-14)3-8-17(24)21-9-11-22(12-10-21)18(25)15-6-7-16(23)20-15/h1-2,4-5,15H,3,6-12H2,(H,20,23)
InChIKeyBHCXZPNERWRZTE-UHFFFAOYSA-N
MW347.39 g/mol
LogP0.71
Rot. Bonds4

About 5-[4-[3-(4-fluorophenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one

5-[4-[3-(4-fluorophenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 110666021) has the molecular formula C18H22FN3O3 and a molecular weight of 347.39 g/mol. Its IUPAC name is 5-[4-[3-(4-fluorophenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[4-[3-(4-fluorophenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID110666021
Molecular FormulaC18H22FN3O3
Molecular Weight347.39 g/mol
Exact Mass347.16
IUPAC Name5-[4-[3-(4-fluorophenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CCC(C(=O)N2CCN(C(=O)CCc3ccc(F)cc3)CC2)N1
InChIInChI=1S/C18H22FN3O3/c19-14-4-1-13(2-5-14)3-8-17(24)21-9-11-22(12-10-21)18(25)15-6-7-16(23)20-15/h1-2,4-5,15H,3,6-12H2,(H,20,23)
InChIKeyBHCXZPNERWRZTE-UHFFFAOYSA-N
XLogP0.71
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-[3-(4-methylphenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 110804076
5-[4-[3-(4-ethylphenyl)propanoyl]-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 110809222
5-(4-butanoylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110799961
5-[4-[2-(3-fluorophenyl)acetyl]-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 110809733
5-[4-[2-(2-fluorophenoxy)acetyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 110804418
3-cyclopentyl-1-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 134021012
5-[4-[2-(4-chlorophenyl)acetyl]-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 110808313
3-(4-fluorophenyl)-1-(4-methylidenepiperidin-1-yl)propan-1-one
CID 70307419
5-[4-(2-phenylacetyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 110808253
N-(4-fluorophenyl)-2-[4-[(2R)-5-oxopyrrolidine-2-carbonyl]piperazin-1-yl]acetamide
CID 9022117
5-oxo-N-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 110820856
1-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 55716352

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(4-fluorophenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 5-[4-[3-(4-fluorophenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one (CID 110666021) is 5-[4-[3-(4-fluorophenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[4-[3-(4-fluorophenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 5-[4-[3-(4-fluorophenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one is O=C1CCC(C(=O)N2CCN(C(=O)CCc3ccc(F)cc3)CC2)N1.
What is the InChIKey of 5-[4-[3-(4-fluorophenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is BHCXZPNERWRZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3/c19-14-4-1-13(2-5-14)3-8-17(24)21-9-11-22(12-10-21)18(25)15-6-7-16(23)20-15/h1-2,4-5,15H,3,6-12H2,(H,20,23).
What are the key properties of 5-[4-[3-(4-fluorophenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one?
5-[4-[3-(4-fluorophenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 347.39 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(4-fluorophenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 110666021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).