[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-(2-methylmorpholin-4-yl)methanone

C17H23FN2O4S — CID 24584139

IUPAC[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-(2-methylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CCO1
InChIInChI=1S/C17H23FN2O4S/c1-13-12-19(10-11-24-13)17(21)14-6-8-20(9-7-14)25(22,23)16-4-2-15(18)3-5-16/h2-5,13-14H,6-12H2,1H3
InChIKeyXDEDNCQMEOKKAK-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.47
Rot. Bonds3

About [1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-(2-methylmorpholin-4-yl)methanone

[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-(2-methylmorpholin-4-yl)methanone (PubChem CID 24584139) has the molecular formula C17H23FN2O4S and a molecular weight of 370.45 g/mol. Its IUPAC name is [1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-(2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-(2-methylmorpholin-4-yl)methanone
PubChem CID24584139
Molecular FormulaC17H23FN2O4S
Molecular Weight370.45 g/mol
Exact Mass370.14
IUPAC Name[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-(2-methylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CCO1
InChIInChI=1S/C17H23FN2O4S/c1-13-12-19(10-11-24-13)17(21)14-6-8-20(9-7-14)25(22,23)16-4-2-15(18)3-5-16/h2-5,13-14H,6-12H2,1H3
InChIKeyXDEDNCQMEOKKAK-UHFFFAOYSA-N
XLogP1.47
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(Phenylsulfonyl)-4-piperidinyl](piperidino)methanone
CID 1084367
N,N-diethyl-4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 92463235
US10858373, Example 1
CID 135238382
US10858373, Example 2
CID 135238398
1-Benzenesulfonyl-piperidine-4-carboxylic acid ([1,4]dioxan-2-ylmethyl)-amide
CID 645869
Morpholino[1-(phenylsulfonyl)-4-piperidinyl]methanone
CID 802533
1-[1-(Benzenesulfonyl)piperidine-4-carbonyl]piperidine-4-carboxamide
CID 1084370
{1-[(4-Fluorophenyl)sulfonyl]piperidin-3-yl}(morpholin-4-yl)methanone
CID 6488366
1-(4-acetylpiperazin-1-yl)-2-[1-[(3S,5R)-5-cyclopropyl-4-(4-fluorophenyl)sulfonylmorpholin-3-yl]cyclopropyl]ethanone
CID 134133165
[1-(4-Fluorophenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 1090957
1-[1-(Benzenesulfonyl)piperidine-4-carbonyl]-3-methylpiperidine
CID 4321356
US10858373, Example 4
CID 135238511

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-(2-methylmorpholin-4-yl)methanone?
The IUPAC name of [1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-(2-methylmorpholin-4-yl)methanone (CID 24584139) is [1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-(2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for [1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-(2-methylmorpholin-4-yl)methanone?
The canonical SMILES for [1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-(2-methylmorpholin-4-yl)methanone is CC1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CCO1.
What is the InChIKey of [1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-(2-methylmorpholin-4-yl)methanone?
The InChIKey is XDEDNCQMEOKKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O4S/c1-13-12-19(10-11-24-13)17(21)14-6-8-20(9-7-14)25(22,23)16-4-2-15(18)3-5-16/h2-5,13-14H,6-12H2,1H3.
What are the key properties of [1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-(2-methylmorpholin-4-yl)methanone?
[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-(2-methylmorpholin-4-yl)methanone has a molecular weight of 370.45 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-(2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 24584139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).