[4-(4-fluorophenyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone

C17H24FN3O3S — CID 2988613

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone
SMILESCS(=O)(=O)N1CCCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C17H24FN3O3S/c1-25(23,24)21-8-2-3-14(13-21)17(22)20-11-9-19(10-12-20)16-6-4-15(18)5-7-16/h4-7,14H,2-3,8-13H2,1H3
InChIKeySJZUTUZBIFCZEM-UHFFFAOYSA-N
MW369.46 g/mol
LogP1.15
Rot. Bonds3

About [4-(4-fluorophenyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone

[4-(4-fluorophenyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone (PubChem CID 2988613) has the molecular formula C17H24FN3O3S and a molecular weight of 369.46 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone
PubChem CID2988613
Molecular FormulaC17H24FN3O3S
Molecular Weight369.46 g/mol
Exact Mass369.15
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone
SMILESCS(=O)(=O)N1CCCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C17H24FN3O3S/c1-25(23,24)21-8-2-3-14(13-21)17(22)20-11-9-19(10-12-20)16-6-4-15(18)5-7-16/h4-7,14H,2-3,8-13H2,1H3
InChIKeySJZUTUZBIFCZEM-UHFFFAOYSA-N
XLogP1.15
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 ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-1-(methylsulfonyl)piperidine-3-carboxamide
CID 2990495
N-(4-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 2991521
N-(3,4-difluorophenyl)-1-(methylsulfonyl)piperidine-3-carboxamide
CID 19583486
N-[2-(4-benzyl-1-piperazinyl)-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide
CID 989253
N-(3-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 3154525
N-(2,6-difluorophenyl)-1-(methylsulfonyl)piperidine-3-carboxamide
CID 6461637
1-[2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperidine-3-carboxamide
CID 16327022
[4-(2-Fluorophenyl)piperazin-1-yl][1-(2-methylpropyl)piperidin-4-yl]methanone
CID 883940
3-Methyl-1-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]butan-1-one
CID 948802
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-fluorophenyl)methanesulfonamide
CID 1000738
N-{2-[4-(2-Fluoro-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-N-phenethyl-methanesulfonamide
CID 1021967
N-Cyclohexyl-N-{2-[4-(4-fluoro-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-methanesulfonamide
CID 1021985

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone (CID 2988613) is [4-(4-fluorophenyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone is CS(=O)(=O)N1CCCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)C1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone?
The InChIKey is SJZUTUZBIFCZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O3S/c1-25(23,24)21-8-2-3-14(13-21)17(22)20-11-9-19(10-12-20)16-6-4-15(18)5-7-16/h4-7,14H,2-3,8-13H2,1H3.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone has a molecular weight of 369.46 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone is sourced from PubChem (CID 2988613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).