4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one

C21H24FN3O3 — CID 43003170

IUPAC4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCN(Cc3ccccc3F)CC2)CN1Cc1ccco1
InChIInChI=1S/C21H24FN3O3/c22-19-6-2-1-4-16(19)13-23-7-9-24(10-8-23)21(27)17-12-20(26)25(14-17)15-18-5-3-11-28-18/h1-6,11,17H,7-10,12-15H2
InChIKeyOOIYJRNRMXZBKG-UHFFFAOYSA-N
MW385.44 g/mol
LogP2.11
Rot. Bonds5

About 4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one

4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one (PubChem CID 43003170) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is 4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
PubChem CID43003170
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC Name4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCN(Cc3ccccc3F)CC2)CN1Cc1ccco1
InChIInChI=1S/C21H24FN3O3/c22-19-6-2-1-4-16(19)13-23-7-9-24(10-8-23)21(27)17-12-20(26)25(14-17)15-18-5-3-11-28-18/h1-6,11,17H,7-10,12-15H2
InChIKeyOOIYJRNRMXZBKG-UHFFFAOYSA-N
XLogP2.11
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-benzylpiperazine-1-carbonyl)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-one
CID 113183434
(4R)-1-(furan-2-ylmethyl)-4-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 93017405
(4S)-4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 51940683
(4R)-4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 35697880
4-(4-benzhydrylpiperazine-1-carbonyl)-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 43002728
(4S)-4-[4-(2-chloro-4-fluorophenyl)piperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 97078833
1-(furan-2-ylmethyl)-4-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 112763061
1-(furan-2-ylmethyl)-4-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 55950449
1-cyclopentyl-4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 46654438
1-(furan-2-ylmethyl)-5-oxo-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 51237853
1-[(2-fluorophenyl)methyl]-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 113183445
6-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119137350

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one (CID 43003170) is 4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one is O=C1CC(C(=O)N2CCN(Cc3ccccc3F)CC2)CN1Cc1ccco1.
What is the InChIKey of 4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one?
The InChIKey is OOIYJRNRMXZBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3/c22-19-6-2-1-4-16(19)13-23-7-9-24(10-8-23)21(27)17-12-20(26)25(14-17)15-18-5-3-11-28-18/h1-6,11,17H,7-10,12-15H2.
What are the key properties of 4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one?
4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one has a molecular weight of 385.44 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 43003170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).