[4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone

C23H28FN3O3S — CID 1248999

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C23H28FN3O3S/c1-18-5-6-19(17-22(18)31(29,30)27-11-3-2-4-12-27)23(28)26-15-13-25(14-16-26)21-9-7-20(24)8-10-21/h5-10,17H,2-4,11-16H2,1H3
InChIKeyLYYXQQUFDZPJIT-UHFFFAOYSA-N
MW445.56 g/mol
LogP3.27
Rot. Bonds4

About [4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone

[4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone (PubChem CID 1248999) has the molecular formula C23H28FN3O3S and a molecular weight of 445.56 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
PubChem CID1248999
Molecular FormulaC23H28FN3O3S
Molecular Weight445.56 g/mol
Exact Mass445.18
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C23H28FN3O3S/c1-18-5-6-19(17-22(18)31(29,30)27-11-3-2-4-12-27)23(28)26-15-13-25(14-16-26)21-9-7-20(24)8-10-21/h5-10,17H,2-4,11-16H2,1H3
InChIKeyLYYXQQUFDZPJIT-UHFFFAOYSA-N
XLogP3.27
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone (CID 1248999) is [4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone is Cc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone?
The InChIKey is LYYXQQUFDZPJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O3S/c1-18-5-6-19(17-22(18)31(29,30)27-11-3-2-4-12-27)23(28)26-15-13-25(14-16-26)21-9-7-20(24)8-10-21/h5-10,17H,2-4,11-16H2,1H3.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone has a molecular weight of 445.56 g/mol, XLogP of 3.27, 4 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]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone is sourced from PubChem (CID 1248999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).