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

C17H24FN3O3S — CID 1090957

IUPAC[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C17H24FN3O3S/c1-19-10-12-20(13-11-19)17(22)14-6-8-21(9-7-14)25(23,24)16-4-2-15(18)3-5-16/h2-5,14H,6-13H2,1H3
InChIKeyWFFRGYALKFTZMM-UHFFFAOYSA-N
MW369.46 g/mol
LogP1.00
Rot. Bonds3

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

[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 1090957) has the molecular formula C17H24FN3O3S and a molecular weight of 369.46 g/mol. Its IUPAC name is [1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID1090957
Molecular FormulaC17H24FN3O3S
Molecular Weight369.46 g/mol
Exact Mass369.15
IUPAC Name[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C17H24FN3O3S/c1-19-10-12-20(13-11-19)17(22)14-6-8-21(9-7-14)25(23,24)16-4-2-15(18)3-5-16/h2-5,14H,6-13H2,1H3
InChIKeyWFFRGYALKFTZMM-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

Analyze [1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Methyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 717239
[1-(Phenylsulfonyl)-4-piperidinyl](piperidino)methanone
CID 1084367
1-[4-(Benzenesulfonyl)piperazin-1-yl]-2-cyclopentylethanone
CID 8933910
N,N-diethyl-4-[(3R)-3-[4-(trifluoromethyl)piperidine-1-carbonyl]piperidin-1-yl]sulfonylbenzenesulfonamide
CID 162365279
4-[(3R)-3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]sulfonyl-N,N-diethylbenzenesulfonamide
CID 162365417
4-[(3R)-3-[4-(difluoromethyl)piperidine-1-carbonyl]piperidin-1-yl]sulfonyl-N,N-diethylbenzenesulfonamide
CID 162365487
4-[(3R)-3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]sulfonyl-N,N-dimethylbenzenesulfonamide
CID 162365501
[1-(Phenylsulfonyl)piperidin-3-yl](piperidin-1-yl)methanone
CID 2931939
Morpholino[1-(phenylsulfonyl)-4-piperidinyl]methanone
CID 802533
1-{2-[Cyclohexyl-(4-fluoro-benzenesulfonyl)-amino]-acetyl}-piperidine-4-carboxylic acid amide
CID 1072980
1-[1-(Benzenesulfonyl)piperidine-4-carbonyl]piperidine-4-carboxamide
CID 1084370
Cyclobutyl 4-[(4-fluorophenyl)sulfonyl]piperazinyl ketone
CID 2664136

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-1-yl)methanone (CID 1090957) is [1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1.
What is the InChIKey of [1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is WFFRGYALKFTZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O3S/c1-19-10-12-20(13-11-19)17(22)14-6-8-21(9-7-14)25(23,24)16-4-2-15(18)3-5-16/h2-5,14H,6-13H2,1H3.
What are the key properties of [1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
[1-(4-fluorophenyl)sulfonylpiperidin-4-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-4-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 1090957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).