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

C16H22FNO3S — CID 90589973

IUPAC(2-fluorophenyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
SMILESCC(C)CS(=O)(=O)C1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C16H22FNO3S/c1-12(2)11-22(20,21)13-7-9-18(10-8-13)16(19)14-5-3-4-6-15(14)17/h3-6,12-13H,7-11H2,1-2H3
InChIKeyDNUHIWPGRGNFAR-UHFFFAOYSA-N
MW327.42 g/mol
LogP2.50
Rot. Bonds4

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

(2-fluorophenyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone (PubChem CID 90589973) has the molecular formula C16H22FNO3S and a molecular weight of 327.42 g/mol. Its IUPAC name is (2-fluorophenyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
PubChem CID90589973
Molecular FormulaC16H22FNO3S
Molecular Weight327.42 g/mol
Exact Mass327.13
IUPAC Name(2-fluorophenyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
SMILESCC(C)CS(=O)(=O)C1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C16H22FNO3S/c1-12(2)11-22(20,21)13-7-9-18(10-8-13)16(19)14-5-3-4-6-15(14)17/h3-6,12-13H,7-11H2,1-2H3
InChIKeyDNUHIWPGRGNFAR-UHFFFAOYSA-N
XLogP2.50
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-fluorobenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592510
(4-chlorophenyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
CID 90589993
(2-methoxy-3-pyridinyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
CID 90590146
[4-(2-methylpropylsulfonyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 90589965
[4-(4-fluorophenyl)phenyl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
CID 90590069
[4-(2-methylpropylsulfonyl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 90590184
[3-(2-methylpropylsulfonyl)azetidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 90594114
(2-methylphenyl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone
CID 72718948
N-[1-(2-fluorobenzoyl)piperidin-4-yl]propane-1-sulfonamide
CID 38820857
[4-(benzenesulfonylmethyl)piperidin-1-yl]-(2-fluorophenyl)methanone
CID 110661954
(3,4-dichlorophenyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
CID 90590179
(E)-1-[4-(2-methylpropylsulfonyl)piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 90589981

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone (CID 90589973) is (2-fluorophenyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone is CC(C)CS(=O)(=O)C1CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of (2-fluorophenyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone?
The InChIKey is DNUHIWPGRGNFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO3S/c1-12(2)11-22(20,21)13-7-9-18(10-8-13)16(19)14-5-3-4-6-15(14)17/h3-6,12-13H,7-11H2,1-2H3.
What are the key properties of (2-fluorophenyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone?
(2-fluorophenyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone has a molecular weight of 327.42 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone is sourced from PubChem (CID 90589973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).