(1-aminocyclopentyl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone

C16H22FN3O3S — CID 119265625

IUPAC(1-aminocyclopentyl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESNC1(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CCCC1
InChIInChI=1S/C16H22FN3O3S/c17-13-3-5-14(6-4-13)24(22,23)20-11-9-19(10-12-20)15(21)16(18)7-1-2-8-16/h3-6H,1-2,7-12,18H2
InChIKeyURCZUSJSMJESMP-UHFFFAOYSA-N
MW355.44 g/mol
LogP0.93
Rot. Bonds3

About (1-aminocyclopentyl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone

(1-aminocyclopentyl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 119265625) has the molecular formula C16H22FN3O3S and a molecular weight of 355.44 g/mol. Its IUPAC name is (1-aminocyclopentyl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-aminocyclopentyl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID119265625
Molecular FormulaC16H22FN3O3S
Molecular Weight355.44 g/mol
Exact Mass355.14
IUPAC Name(1-aminocyclopentyl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESNC1(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CCCC1
InChIInChI=1S/C16H22FN3O3S/c17-13-3-5-14(6-4-13)24(22,23)20-11-9-19(10-12-20)15(21)16(18)7-1-2-8-16/h3-6H,1-2,7-12,18H2
InChIKeyURCZUSJSMJESMP-UHFFFAOYSA-N
XLogP0.93
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-aminocyclopentyl)-[4-(benzenesulfonyl)piperazin-1-yl]methanone
CID 119265347
(1-aminocyclohexyl)-[4-(benzenesulfonyl)piperazin-1-yl]methanone;hydrochloride
CID 119265360
(1-aminocyclopentyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride
CID 119265567
(1-aminocyclohexyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 119266651
(1-aminocyclohexyl)-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]methanone
CID 119302953
(1-aminocyclopentyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 119265754
[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 119281941
2-chloro-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone
CID 156906193
[4-(benzenesulfonyl)piperazin-1-yl]-[1-(4-fluorophenyl)cyclobutyl]methanone
CID 46561290
[1-(4-fluorophenyl)cyclopropyl]-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 30783883
(E)-4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-oxobut-2-enoic acid
CID 17378700
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110422553

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopentyl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (1-aminocyclopentyl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone (CID 119265625) is (1-aminocyclopentyl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (1-aminocyclopentyl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (1-aminocyclopentyl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone is NC1(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CCCC1.
What is the InChIKey of (1-aminocyclopentyl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is URCZUSJSMJESMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O3S/c17-13-3-5-14(6-4-13)24(22,23)20-11-9-19(10-12-20)15(21)16(18)7-1-2-8-16/h3-6H,1-2,7-12,18H2.
What are the key properties of (1-aminocyclopentyl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
(1-aminocyclopentyl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 355.44 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopentyl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 119265625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).