1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]pentan-1-one

C16H22FNO3S — CID 90589548

IUPAC1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H22FNO3S/c1-2-3-4-16(19)18-11-9-15(10-12-18)22(20,21)14-7-5-13(17)6-8-14/h5-8,15H,2-4,9-12H2,1H3
InChIKeyMVZAWXILOFSHIT-UHFFFAOYSA-N
MW327.42 g/mol
LogP2.78
Rot. Bonds5

About 1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]pentan-1-one

1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]pentan-1-one (PubChem CID 90589548) has the molecular formula C16H22FNO3S and a molecular weight of 327.42 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]pentan-1-one
PubChem CID90589548
Molecular FormulaC16H22FNO3S
Molecular Weight327.42 g/mol
Exact Mass327.13
IUPAC Name1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H22FNO3S/c1-2-3-4-16(19)18-11-9-15(10-12-18)22(20,21)14-7-5-13(17)6-8-14/h5-8,15H,2-4,9-12H2,1H3
InChIKeyMVZAWXILOFSHIT-UHFFFAOYSA-N
XLogP2.78
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]propan-1-one
CID 57396619
1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 90589590
3-(3,5-ditert-butylphenyl)-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]propan-1-one
CID 121140114
2-[3-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 90589734
3-(4-chloro-3-methylphenyl)-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]propan-1-one
CID 90589673
(4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
CID 90589559
1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]pentan-1-one
CID 110797246
2,6-difluoro-N-[3-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 90589644
3-(4-chloro-3-fluorophenyl)-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]propan-1-one
CID 90589669
[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 71808797
2-ethyl-1-[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]butan-1-one
CID 145184231
3-(3-bromo-4-methoxyphenyl)-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]propan-1-one
CID 90589647

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]pentan-1-one?
The IUPAC name of 1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]pentan-1-one (CID 90589548) is 1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]pentan-1-one?
The canonical SMILES for 1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]pentan-1-one is CCCCC(=O)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]pentan-1-one?
The InChIKey is MVZAWXILOFSHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO3S/c1-2-3-4-16(19)18-11-9-15(10-12-18)22(20,21)14-7-5-13(17)6-8-14/h5-8,15H,2-4,9-12H2,1H3.
What are the key properties of 1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]pentan-1-one?
1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]pentan-1-one has a molecular weight of 327.42 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]pentan-1-one is sourced from PubChem (CID 90589548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).