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

C16H21FN2O4S — CID 18086474

IUPAC[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCN(S(=O)(=O)c2cccc(F)c2)CC1)N1CCOCC1
InChIInChI=1S/C16H21FN2O4S/c17-14-2-1-3-15(12-14)24(21,22)19-6-4-13(5-7-19)16(20)18-8-10-23-11-9-18/h1-3,12-13H,4-11H2
InChIKeySDOHIJKVIBUDFX-UHFFFAOYSA-N
MW356.42 g/mol
LogP1.09
Rot. Bonds3

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

[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 18086474) has the molecular formula C16H21FN2O4S and a molecular weight of 356.42 g/mol. Its IUPAC name is [1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID18086474
Molecular FormulaC16H21FN2O4S
Molecular Weight356.42 g/mol
Exact Mass356.12
IUPAC Name[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCN(S(=O)(=O)c2cccc(F)c2)CC1)N1CCOCC1
InChIInChI=1S/C16H21FN2O4S/c17-14-2-1-3-15(12-14)24(21,22)19-6-4-13(5-7-19)16(20)18-8-10-23-11-9-18/h1-3,12-13H,4-11H2
InChIKeySDOHIJKVIBUDFX-UHFFFAOYSA-N
XLogP1.09
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone (CID 18086474) is [1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone is O=C(C1CCN(S(=O)(=O)c2cccc(F)c2)CC1)N1CCOCC1.
What is the InChIKey of [1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is SDOHIJKVIBUDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O4S/c17-14-2-1-3-15(12-14)24(21,22)19-6-4-13(5-7-19)16(20)18-8-10-23-11-9-18/h1-3,12-13H,4-11H2.
What are the key properties of [1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone?
[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 356.42 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 18086474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).