[3-(4-fluorophenyl)morpholin-4-yl]-(1-methylsulfonylpiperidin-4-yl)methanone

C17H23FN2O4S — CID 110663861

IUPAC[3-(4-fluorophenyl)morpholin-4-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
SMILESCS(=O)(=O)N1CCC(C(=O)N2CCOCC2c2ccc(F)cc2)CC1
InChIInChI=1S/C17H23FN2O4S/c1-25(22,23)19-8-6-14(7-9-19)17(21)20-10-11-24-12-16(20)13-2-4-15(18)5-3-13/h2-5,14,16H,6-12H2,1H3
InChIKeyRXBXQJNDLQEPJQ-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.40
Rot. Bonds3

About [3-(4-fluorophenyl)morpholin-4-yl]-(1-methylsulfonylpiperidin-4-yl)methanone

[3-(4-fluorophenyl)morpholin-4-yl]-(1-methylsulfonylpiperidin-4-yl)methanone (PubChem CID 110663861) has the molecular formula C17H23FN2O4S and a molecular weight of 370.45 g/mol. Its IUPAC name is [3-(4-fluorophenyl)morpholin-4-yl]-(1-methylsulfonylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)morpholin-4-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
PubChem CID110663861
Molecular FormulaC17H23FN2O4S
Molecular Weight370.45 g/mol
Exact Mass370.14
IUPAC Name[3-(4-fluorophenyl)morpholin-4-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
SMILESCS(=O)(=O)N1CCC(C(=O)N2CCOCC2c2ccc(F)cc2)CC1
InChIInChI=1S/C17H23FN2O4S/c1-25(22,23)19-8-6-14(7-9-19)17(21)20-10-11-24-12-16(20)13-2-4-15(18)5-3-13/h2-5,14,16H,6-12H2,1H3
InChIKeyRXBXQJNDLQEPJQ-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 110663815
2-(4-fluorophenyl)-1-[3-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 110663846
4-ethylsulfonyl-3-(4-fluorophenyl)morpholine
CID 110663881
[2-(3-fluorophenyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone;hydrochloride
CID 120737317
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 51320895
(4-fluorophenyl)-(3-phenylmorpholin-4-yl)methanone
CID 110728336
1-[3-(4-fluorophenyl)morpholin-4-yl]-2-(2-methylphenyl)ethanone
CID 110663868
2-[2-[3-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]isoindole-1,3-dione
CID 110663852
cyclopropyl-[4-[(2R)-2-(4-fluorophenyl)azetidine-1-carbonyl]piperidin-1-yl]methanone
CID 97149488
3-(4-fluorophenyl)-N,N-dimethylmorpholine-4-sulfonamide
CID 110663884
[5-methyl-2-(4-methylphenyl)morpholin-4-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110369501
(6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110636555

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)morpholin-4-yl]-(1-methylsulfonylpiperidin-4-yl)methanone?
The IUPAC name of [3-(4-fluorophenyl)morpholin-4-yl]-(1-methylsulfonylpiperidin-4-yl)methanone (CID 110663861) is [3-(4-fluorophenyl)morpholin-4-yl]-(1-methylsulfonylpiperidin-4-yl)methanone.
What is the SMILES notation for [3-(4-fluorophenyl)morpholin-4-yl]-(1-methylsulfonylpiperidin-4-yl)methanone?
The canonical SMILES for [3-(4-fluorophenyl)morpholin-4-yl]-(1-methylsulfonylpiperidin-4-yl)methanone is CS(=O)(=O)N1CCC(C(=O)N2CCOCC2c2ccc(F)cc2)CC1.
What is the InChIKey of [3-(4-fluorophenyl)morpholin-4-yl]-(1-methylsulfonylpiperidin-4-yl)methanone?
The InChIKey is RXBXQJNDLQEPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O4S/c1-25(22,23)19-8-6-14(7-9-19)17(21)20-10-11-24-12-16(20)13-2-4-15(18)5-3-13/h2-5,14,16H,6-12H2,1H3.
What are the key properties of [3-(4-fluorophenyl)morpholin-4-yl]-(1-methylsulfonylpiperidin-4-yl)methanone?
[3-(4-fluorophenyl)morpholin-4-yl]-(1-methylsulfonylpiperidin-4-yl)methanone has a molecular weight of 370.45 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)morpholin-4-yl]-(1-methylsulfonylpiperidin-4-yl)methanone is sourced from PubChem (CID 110663861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).