[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-piperidin-1-ylmethanone

C16H22FN3O3S — CID 1094977

IUPAC[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H22FN3O3S/c17-14-4-6-15(7-5-14)24(22,23)20-12-10-19(11-13-20)16(21)18-8-2-1-3-9-18/h4-7H,1-3,8-13H2
InChIKeyBSHHQNMUMVKPPT-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.74
Rot. Bonds2

About [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-piperidin-1-ylmethanone

[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-piperidin-1-ylmethanone (PubChem CID 1094977) has the molecular formula C16H22FN3O3S and a molecular weight of 355.44 g/mol. Its IUPAC name is [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-piperidin-1-ylmethanone
PubChem CID1094977
Molecular FormulaC16H22FN3O3S
Molecular Weight355.44 g/mol
Exact Mass355.14
IUPAC Name[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H22FN3O3S/c17-14-4-6-15(7-5-14)24(22,23)20-12-10-19(11-13-20)16(21)18-8-2-1-3-9-18/h4-7H,1-3,8-13H2
InChIKeyBSHHQNMUMVKPPT-UHFFFAOYSA-N
XLogP1.74
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-piperidin-1-ylmethanone?
The IUPAC name of [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-piperidin-1-ylmethanone (CID 1094977) is [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-piperidin-1-ylmethanone is O=C(N1CCCCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-piperidin-1-ylmethanone?
The InChIKey is BSHHQNMUMVKPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O3S/c17-14-4-6-15(7-5-14)24(22,23)20-12-10-19(11-13-20)16(21)18-8-2-1-3-9-18/h4-7H,1-3,8-13H2.
What are the key properties of [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-piperidin-1-ylmethanone?
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-piperidin-1-ylmethanone has a molecular weight of 355.44 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 1094977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).