1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(3R)-1-methylsulfonylpyrrolidin-3-yl]ethanone

C17H24FN3O3S — CID 164643350

IUPAC1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(3R)-1-methylsulfonylpyrrolidin-3-yl]ethanone
SMILESCS(=O)(=O)N1CC[C@H](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C17H24FN3O3S/c1-25(23,24)21-7-6-14(13-21)12-17(22)20-10-8-19(9-11-20)16-4-2-15(18)3-5-16/h2-5,14H,6-13H2,1H3/t14-/m1/s1
InChIKeyQKAJIPJNPZLERK-CQSZACIVSA-N
MW369.46 g/mol
LogP1.15
Rot. Bonds4

About 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(3R)-1-methylsulfonylpyrrolidin-3-yl]ethanone

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(3R)-1-methylsulfonylpyrrolidin-3-yl]ethanone (PubChem CID 164643350) has the molecular formula C17H24FN3O3S and a molecular weight of 369.46 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(3R)-1-methylsulfonylpyrrolidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(3R)-1-methylsulfonylpyrrolidin-3-yl]ethanone
PubChem CID164643350
Molecular FormulaC17H24FN3O3S
Molecular Weight369.46 g/mol
Exact Mass369.15
IUPAC Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(3R)-1-methylsulfonylpyrrolidin-3-yl]ethanone
SMILESCS(=O)(=O)N1CC[C@H](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C17H24FN3O3S/c1-25(23,24)21-7-6-14(13-21)12-17(22)20-10-8-19(9-11-20)16-4-2-15(18)3-5-16/h2-5,14H,6-13H2,1H3/t14-/m1/s1
InChIKeyQKAJIPJNPZLERK-CQSZACIVSA-N
XLogP1.15
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
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

Analyze 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(3R)-1-methylsulfonylpyrrolidin-3-yl]ethanone with MolForge

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119827516
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxan-3-yl)ethanone
CID 110853314
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(1-methylpyrrolidin-2-yl)ethanone
CID 110853309
4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-methylpyrazolidine-3,5-dione
CID 110703473
tert-butyl 4-[2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-2-oxoethyl]piperidine-1-carboxylate
CID 86852948
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(8-hydroxy-3-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 167783334
3-cyclohexyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 898320
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 111442592
[4-(4-fluorophenyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-2-yl)methanone
CID 16580978
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 60500933
ethane;1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-methylhydrazinyl)ethanone
CID 142843333

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(3R)-1-methylsulfonylpyrrolidin-3-yl]ethanone?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(3R)-1-methylsulfonylpyrrolidin-3-yl]ethanone (CID 164643350) is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(3R)-1-methylsulfonylpyrrolidin-3-yl]ethanone.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(3R)-1-methylsulfonylpyrrolidin-3-yl]ethanone?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(3R)-1-methylsulfonylpyrrolidin-3-yl]ethanone is CS(=O)(=O)N1CC[C@H](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(3R)-1-methylsulfonylpyrrolidin-3-yl]ethanone?
The InChIKey is QKAJIPJNPZLERK-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24FN3O3S/c1-25(23,24)21-7-6-14(13-21)12-17(22)20-10-8-19(9-11-20)16-4-2-15(18)3-5-16/h2-5,14H,6-13H2,1H3/t14-/m1/s1.
What are the key properties of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(3R)-1-methylsulfonylpyrrolidin-3-yl]ethanone?
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(3R)-1-methylsulfonylpyrrolidin-3-yl]ethanone has a molecular weight of 369.46 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(3R)-1-methylsulfonylpyrrolidin-3-yl]ethanone is sourced from PubChem (CID 164643350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).