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

C21H28FN3O2 — CID 46654438

IUPAC1-cyclopentyl-4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(C2CCCC2)C1)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C21H28FN3O2/c22-19-8-4-1-5-16(19)14-23-9-11-24(12-10-23)21(27)17-13-20(26)25(15-17)18-6-2-3-7-18/h1,4-5,8,17-18H,2-3,6-7,9-15H2
InChIKeyBBKINAGMOMBLJL-UHFFFAOYSA-N
MW373.47 g/mol
LogP2.26
Rot. Bonds4

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

1-cyclopentyl-4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 46654438) has the molecular formula C21H28FN3O2 and a molecular weight of 373.47 g/mol. Its IUPAC name is 1-cyclopentyl-4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID46654438
Molecular FormulaC21H28FN3O2
Molecular Weight373.47 g/mol
Exact Mass373.22
IUPAC Name1-cyclopentyl-4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(C2CCCC2)C1)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C21H28FN3O2/c22-19-8-4-1-5-16(19)14-23-9-11-24(12-10-23)21(27)17-13-20(26)25(15-17)18-6-2-3-7-18/h1,4-5,8,17-18H,2-3,6-7,9-15H2
InChIKeyBBKINAGMOMBLJL-UHFFFAOYSA-N
XLogP2.26
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carbonyl]-1-cyclopentylpyrrolidin-2-one
CID 9113608
(4R)-4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 35697880
cyclobutyl-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 113074078
1-cyclopropyl-4-[4-[(2-methoxyphenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 70722242
4-(4-benzylpiperazine-1-carbonyl)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-one
CID 113183434
(4-benzylpiperazin-1-yl)-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 43922259
(4S)-4-(4-benzoylpiperazine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one
CID 51565669
4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 43003170
(4R)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-cyclopentylpyrrolidin-2-one
CID 27536013
1-cyclohexyl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 2986614
azepan-1-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 756318
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-(oxan-4-yl)methanone
CID 113074079

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-cyclopentyl-4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one (CID 46654438) is 1-cyclopentyl-4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclopentyl-4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-cyclopentyl-4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one is O=C(C1CC(=O)N(C2CCCC2)C1)N1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of 1-cyclopentyl-4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is BBKINAGMOMBLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O2/c22-19-8-4-1-5-16(19)14-23-9-11-24(12-10-23)21(27)17-13-20(26)25(15-17)18-6-2-3-7-18/h1,4-5,8,17-18H,2-3,6-7,9-15H2.
What are the key properties of 1-cyclopentyl-4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one?
1-cyclopentyl-4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 373.47 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 46654438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).