(4-cyclopentylpiperazin-1-yl)-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanone

C20H28FN3O3S — CID 110246552

IUPAC(4-cyclopentylpiperazin-1-yl)-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanone
SMILESO=C(C1CCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C20H28FN3O3S/c21-17-5-7-19(8-6-17)28(26,27)24-10-9-16(15-24)20(25)23-13-11-22(12-14-23)18-3-1-2-4-18/h5-8,16,18H,1-4,9-15H2
InChIKeyONBQITJXEFLBCF-UHFFFAOYSA-N
MW409.53 g/mol
LogP1.92
Rot. Bonds4

About (4-cyclopentylpiperazin-1-yl)-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanone

(4-cyclopentylpiperazin-1-yl)-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanone (PubChem CID 110246552) has the molecular formula C20H28FN3O3S and a molecular weight of 409.53 g/mol. Its IUPAC name is (4-cyclopentylpiperazin-1-yl)-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name(4-cyclopentylpiperazin-1-yl)-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanone
PubChem CID110246552
Molecular FormulaC20H28FN3O3S
Molecular Weight409.53 g/mol
Exact Mass409.18
IUPAC Name(4-cyclopentylpiperazin-1-yl)-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanone
SMILESO=C(C1CCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C20H28FN3O3S/c21-17-5-7-19(8-6-17)28(26,27)24-10-9-16(15-24)20(25)23-13-11-22(12-14-23)18-3-1-2-4-18/h5-8,16,18H,1-4,9-15H2
InChIKeyONBQITJXEFLBCF-UHFFFAOYSA-N
XLogP1.92
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 3236130
[1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 55406673
[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119400137
(4-cyclobutyl-1,4-diazepan-1-yl)-[7-(4-fluorophenyl)sulfonyl-7-azaspiro[3.5]nonan-2-yl]methanone
CID 46212881
methyl 1-[(3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxylate
CID 40947352
(3S)-1-(4-fluorophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 93083334
1-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]piperidine
CID 63169006
cyclohexyl-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 31667720
(4-cyclopentylpiperazin-1-yl)-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone
CID 3240878
[4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methanone
CID 2967478
[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone
CID 55511723
ethyl 4-[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate
CID 2921895

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentylpiperazin-1-yl)-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanone?
The IUPAC name of (4-cyclopentylpiperazin-1-yl)-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanone (CID 110246552) is (4-cyclopentylpiperazin-1-yl)-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanone.
What is the SMILES notation for (4-cyclopentylpiperazin-1-yl)-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanone?
The canonical SMILES for (4-cyclopentylpiperazin-1-yl)-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanone is O=C(C1CCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of (4-cyclopentylpiperazin-1-yl)-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanone?
The InChIKey is ONBQITJXEFLBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O3S/c21-17-5-7-19(8-6-17)28(26,27)24-10-9-16(15-24)20(25)23-13-11-22(12-14-23)18-3-1-2-4-18/h5-8,16,18H,1-4,9-15H2.
What are the key properties of (4-cyclopentylpiperazin-1-yl)-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanone?
(4-cyclopentylpiperazin-1-yl)-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanone has a molecular weight of 409.53 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylpiperazin-1-yl)-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanone is sourced from PubChem (CID 110246552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).