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

C21H21F2N3O2 — CID 120736568

IUPAC1-(4-fluorophenyl)-3-[2-(3-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1C(C(=O)N2CCNCC2c2cccc(F)c2)CCN1c1ccc(F)cc1
InChIInChI=1S/C21H21F2N3O2/c22-15-4-6-17(7-5-15)25-10-8-18(20(25)27)21(28)26-11-9-24-13-19(26)14-2-1-3-16(23)12-14/h1-7,12,18-19,24H,8-11,13H2
InChIKeyPQYIFWSERLIKAS-UHFFFAOYSA-N
MW385.41 g/mol
LogP2.49
Rot. Bonds3

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

1-(4-fluorophenyl)-3-[2-(3-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 120736568) has the molecular formula C21H21F2N3O2 and a molecular weight of 385.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[2-(3-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[2-(3-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID120736568
Molecular FormulaC21H21F2N3O2
Molecular Weight385.41 g/mol
Exact Mass385.16
IUPAC Name1-(4-fluorophenyl)-3-[2-(3-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1C(C(=O)N2CCNCC2c2cccc(F)c2)CCN1c1ccc(F)cc1
InChIInChI=1S/C21H21F2N3O2/c22-15-4-6-17(7-5-15)25-10-8-18(20(25)27)21(28)26-11-9-24-13-19(26)14-2-1-3-16(23)12-14/h1-7,12,18-19,24H,8-11,13H2
InChIKeyPQYIFWSERLIKAS-UHFFFAOYSA-N
XLogP2.49
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride
CID 120736657
[2-(3-fluorophenyl)piperazin-1-yl]-(thian-4-yl)methanone;hydrochloride
CID 120737909
5-[2-(3-fluorophenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride
CID 120736265
2-(4-fluorophenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120736085
2-cyclobutyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120736006
4-[2-(3-fluorophenyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 120736663
[2-(3-fluorophenyl)piperazin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 120736138
[2-(3-fluorophenyl)piperazin-1-yl]-(oxolan-3-yl)methanone;hydrochloride
CID 120735794
2-ethylsulfonyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120736236
(1,1-dioxothiolan-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120736331
[2-(2,5-difluorophenyl)cyclopropyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120735897
N-(3-fluorophenyl)-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 46159323

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[2-(3-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-3-[2-(3-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 120736568) is 1-(4-fluorophenyl)-3-[2-(3-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[2-(3-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-[2-(3-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one is O=C1C(C(=O)N2CCNCC2c2cccc(F)c2)CCN1c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[2-(3-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is PQYIFWSERLIKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O2/c22-15-4-6-17(7-5-15)25-10-8-18(20(25)27)21(28)26-11-9-24-13-19(26)14-2-1-3-16(23)12-14/h1-7,12,18-19,24H,8-11,13H2.
What are the key properties of 1-(4-fluorophenyl)-3-[2-(3-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
1-(4-fluorophenyl)-3-[2-(3-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 385.41 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[2-(3-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 120736568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).