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

C16H21FN2O4S — CID 6488366

IUPAC[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCOCC1
InChIInChI=1S/C16H21FN2O4S/c17-14-3-5-15(6-4-14)24(21,22)19-7-1-2-13(12-19)16(20)18-8-10-23-11-9-18/h3-6,13H,1-2,7-12H2
InChIKeyIPFUSCHZZJWDFR-UHFFFAOYSA-N
MW356.42 g/mol
LogP1.09
Rot. Bonds3

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

[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 6488366) has the molecular formula C16H21FN2O4S and a molecular weight of 356.42 g/mol. Its IUPAC name is [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID6488366
Molecular FormulaC16H21FN2O4S
Molecular Weight356.42 g/mol
Exact Mass356.12
IUPAC Name[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCOCC1
InChIInChI=1S/C16H21FN2O4S/c17-14-3-5-15(6-4-14)24(21,22)19-7-1-2-13(12-19)16(20)18-8-10-23-11-9-18/h3-6,13H,1-2,7-12H2
InChIKeyIPFUSCHZZJWDFR-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

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Related Compounds

N,N-diethyl-4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 92463235
N,N-diethyl-4-[(3R)-3-[4-(trifluoromethyl)piperidine-1-carbonyl]piperidin-1-yl]sulfonylbenzenesulfonamide
CID 162365279
N,N-diethyl-4-[(3R)-3-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-1-yl]sulfonylbenzenesulfonamide
CID 162365390
4-[(3R)-3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]sulfonyl-N,N-diethylbenzenesulfonamide
CID 162365417
N,N-diethyl-4-[(3R)-3-[(3S)-3-methoxypyrrolidine-1-carbonyl]piperidin-1-yl]sulfonylbenzenesulfonamide
CID 162365431
4-[(3R)-3-[4-(difluoromethyl)piperidine-1-carbonyl]piperidin-1-yl]sulfonyl-N,N-diethylbenzenesulfonamide
CID 162365487
4-[(3R)-3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]sulfonyl-N,N-dimethylbenzenesulfonamide
CID 162365501
N,N-diethyl-4-[(3R)-3-(4-methoxypiperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 162365511
[1-(Phenylsulfonyl)piperidin-3-yl](piperidin-1-yl)methanone
CID 2931939
Morpholino[1-(phenylsulfonyl)-4-piperidinyl]methanone
CID 802533
4-({1-[(4-Bromophenyl)sulfonyl]-3-piperidinyl}carbonyl)morpholine
CID 2967643
[1-(4-Fluorophenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 3572352

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone (CID 6488366) is [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone is O=C(C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCOCC1.
What is the InChIKey of [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is IPFUSCHZZJWDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O4S/c17-14-3-5-15(6-4-14)24(21,22)19-7-1-2-13(12-19)16(20)18-8-10-23-11-9-18/h3-6,13H,1-2,7-12H2.
What are the key properties of [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone?
[1-(4-fluorophenyl)sulfonylpiperidin-3-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-(4-fluorophenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 6488366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).