[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-1-yl)methanone

C17H24FN3O3S — CID 3572352

IUPAC[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C17H24FN3O3S/c1-19-9-11-20(12-10-19)17(22)14-3-2-8-21(13-14)25(23,24)16-6-4-15(18)5-7-16/h4-7,14H,2-3,8-13H2,1H3
InChIKeyVGQKQEODWRJAKL-UHFFFAOYSA-N
MW369.46 g/mol
LogP1.00
Rot. Bonds3

About [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-1-yl)methanone

[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 3572352) has the molecular formula C17H24FN3O3S and a molecular weight of 369.46 g/mol. Its IUPAC name is [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID3572352
Molecular FormulaC17H24FN3O3S
Molecular Weight369.46 g/mol
Exact Mass369.15
IUPAC Name[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C17H24FN3O3S/c1-19-9-11-20(12-10-19)17(22)14-3-2-8-21(13-14)25(23,24)16-6-4-15(18)5-7-16/h4-7,14H,2-3,8-13H2,1H3
InChIKeyVGQKQEODWRJAKL-UHFFFAOYSA-N
XLogP1.00
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-1-yl)methanone (CID 3572352) is [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)C2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1.
What is the InChIKey of [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is VGQKQEODWRJAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O3S/c1-19-9-11-20(12-10-19)17(22)14-3-2-8-21(13-14)25(23,24)16-6-4-15(18)5-7-16/h4-7,14H,2-3,8-13H2,1H3.
What are the key properties of [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-1-yl)methanone?
[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 369.46 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 3572352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).