[4-(4-fluorophenyl)phenyl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone

C22H26FNO3S — CID 90590069

IUPAC[4-(4-fluorophenyl)phenyl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
SMILESCC(C)CS(=O)(=O)C1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C22H26FNO3S/c1-16(2)15-28(26,27)21-11-13-24(14-12-21)22(25)19-5-3-17(4-6-19)18-7-9-20(23)10-8-18/h3-10,16,21H,11-15H2,1-2H3
InChIKeyCYIWSBWXPJQFMS-UHFFFAOYSA-N
MW403.52 g/mol
LogP4.17
Rot. Bonds5

About [4-(4-fluorophenyl)phenyl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone

[4-(4-fluorophenyl)phenyl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone (PubChem CID 90590069) has the molecular formula C22H26FNO3S and a molecular weight of 403.52 g/mol. Its IUPAC name is [4-(4-fluorophenyl)phenyl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)phenyl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
PubChem CID90590069
Molecular FormulaC22H26FNO3S
Molecular Weight403.52 g/mol
Exact Mass403.16
IUPAC Name[4-(4-fluorophenyl)phenyl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
SMILESCC(C)CS(=O)(=O)C1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C22H26FNO3S/c1-16(2)15-28(26,27)21-11-13-24(14-12-21)22(25)19-5-3-17(4-6-19)18-7-9-20(23)10-8-18/h3-10,16,21H,11-15H2,1-2H3
InChIKeyCYIWSBWXPJQFMS-UHFFFAOYSA-N
XLogP4.17
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
CID 90589993
[4-(2-methylpropylsulfonyl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 90590063
(3,4-dichlorophenyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
CID 90590179
(2-fluorophenyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
CID 90589973
(4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
CID 90589559
[3-(dimethylamino)phenyl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
CID 90590000
[5-(4-fluorophenyl)pyrazolidin-3-yl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
CID 133108632
[4-(2-methylpropylsulfonyl)piperidin-1-yl]-(2,4,6-trimethylphenyl)methanone
CID 90589998
[4-(2-methylpropylsulfonyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 90589965
[4-(2-methylpropylsulfonyl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 90590184
(4-tert-butylphenyl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone
CID 90594279
[4-(4-fluorophenyl)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121164861

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)phenyl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone?
The IUPAC name of [4-(4-fluorophenyl)phenyl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone (CID 90590069) is [4-(4-fluorophenyl)phenyl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)phenyl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)phenyl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone is CC(C)CS(=O)(=O)C1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)phenyl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone?
The InChIKey is CYIWSBWXPJQFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO3S/c1-16(2)15-28(26,27)21-11-13-24(14-12-21)22(25)19-5-3-17(4-6-19)18-7-9-20(23)10-8-18/h3-10,16,21H,11-15H2,1-2H3.
What are the key properties of [4-(4-fluorophenyl)phenyl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone?
[4-(4-fluorophenyl)phenyl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone has a molecular weight of 403.52 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)phenyl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone is sourced from PubChem (CID 90590069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).