3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one

C20H23FN4O3S — CID 91925939

IUPAC3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
SMILESO=C1C(N2CCN(S(=O)(=O)c3ccccc3F)CC2)CCN1Cc1ccccn1
InChIInChI=1S/C20H23FN4O3S/c21-17-6-1-2-7-19(17)29(27,28)25-13-11-23(12-14-25)18-8-10-24(20(18)26)15-16-5-3-4-9-22-16/h1-7,9,18H,8,10-15H2
InChIKeyKWOPEYVEOMIKRS-UHFFFAOYSA-N
MW418.49 g/mol
LogP1.33
Rot. Bonds5

About 3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one

3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one (PubChem CID 91925939) has the molecular formula C20H23FN4O3S and a molecular weight of 418.49 g/mol. Its IUPAC name is 3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
PubChem CID91925939
Molecular FormulaC20H23FN4O3S
Molecular Weight418.49 g/mol
Exact Mass418.15
IUPAC Name3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
SMILESO=C1C(N2CCN(S(=O)(=O)c3ccccc3F)CC2)CCN1Cc1ccccn1
InChIInChI=1S/C20H23FN4O3S/c21-17-6-1-2-7-19(17)29(27,28)25-13-11-23(12-14-25)18-8-10-24(20(18)26)15-16-5-3-4-9-22-16/h1-7,9,18H,8,10-15H2
InChIKeyKWOPEYVEOMIKRS-UHFFFAOYSA-N
XLogP1.33
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(2-ethylphenyl)sulfonylpiperazin-1-yl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 91925955
3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 91925943
1-(pyridin-2-ylmethyl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyrrolidin-2-one
CID 91925942
(3R)-1-[(4-fluorophenyl)methyl]-3-[4-(2-methylphenyl)sulfonyl-1,4-diazepan-1-yl]pyrrolidin-2-one
CID 95112775
1-(4-chloro-2-fluorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine
CID 17413660
3-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 91913125
1-cyclopentyl-4-(2-fluorophenyl)sulfonylpiperazine
CID 45369149
3-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 91925985
1-(2-chloro-4-fluorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine
CID 46556545
1-(3-methylbutyl)-3-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]pyrrolidin-2-one
CID 91925893
1-(cyclopropylmethyl)-4-(2-fluorophenyl)sulfonylpiperazine
CID 61046329
1-(2,5-dichlorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine
CID 17413023

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one (CID 91925939) is 3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one is O=C1C(N2CCN(S(=O)(=O)c3ccccc3F)CC2)CCN1Cc1ccccn1.
What is the InChIKey of 3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one?
The InChIKey is KWOPEYVEOMIKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O3S/c21-17-6-1-2-7-19(17)29(27,28)25-13-11-23(12-14-25)18-8-10-24(20(18)26)15-16-5-3-4-9-22-16/h1-7,9,18H,8,10-15H2.
What are the key properties of 3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one?
3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one has a molecular weight of 418.49 g/mol, XLogP of 1.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 91925939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).