[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone

C17H23FN2O3S — CID 3271386

IUPAC[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCCCC1
InChIInChI=1S/C17H23FN2O3S/c18-15-6-8-16(9-7-15)24(22,23)20-12-4-5-14(13-20)17(21)19-10-2-1-3-11-19/h6-9,14H,1-5,10-13H2
InChIKeyCNQNAEQPTAGWAC-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.24
Rot. Bonds3

About [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone

[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone (PubChem CID 3271386) has the molecular formula C17H23FN2O3S and a molecular weight of 354.45 g/mol. Its IUPAC name is [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone
PubChem CID3271386
Molecular FormulaC17H23FN2O3S
Molecular Weight354.45 g/mol
Exact Mass354.14
IUPAC Name[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCCCC1
InChIInChI=1S/C17H23FN2O3S/c18-15-6-8-16(9-7-15)24(22,23)20-12-4-5-14(13-20)17(21)19-10-2-1-3-11-19/h6-9,14H,1-5,10-13H2
InChIKeyCNQNAEQPTAGWAC-UHFFFAOYSA-N
XLogP2.24
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone (CID 3271386) is [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone is O=C(C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCCCC1.
What is the InChIKey of [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is CNQNAEQPTAGWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3S/c18-15-6-8-16(9-7-15)24(22,23)20-12-4-5-14(13-20)17(21)19-10-2-1-3-11-19/h6-9,14H,1-5,10-13H2.
What are the key properties of [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone?
[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 354.45 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 3271386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).