(3-fluoro-4-phenylphenyl)-[(3R)-1-propan-2-ylsulfonylpiperidin-3-yl]methanone

C21H24FNO3S — CID 25366958

IUPAC(3-fluoro-4-phenylphenyl)-[(3R)-1-propan-2-ylsulfonylpiperidin-3-yl]methanone
SMILESCC(C)S(=O)(=O)N1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)c(F)c2)C1
InChIInChI=1S/C21H24FNO3S/c1-15(2)27(25,26)23-12-6-9-18(14-23)21(24)17-10-11-19(20(22)13-17)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,15,18H,6,9,12,14H2,1-2H3/t18-/m1/s1
InChIKeyXJBVHVRPUISTLG-GOSISDBHSA-N
MW389.49 g/mol
LogP4.13
Rot. Bonds5

About (3-fluoro-4-phenylphenyl)-[(3R)-1-propan-2-ylsulfonylpiperidin-3-yl]methanone

(3-fluoro-4-phenylphenyl)-[(3R)-1-propan-2-ylsulfonylpiperidin-3-yl]methanone (PubChem CID 25366958) has the molecular formula C21H24FNO3S and a molecular weight of 389.49 g/mol. Its IUPAC name is (3-fluoro-4-phenylphenyl)-[(3R)-1-propan-2-ylsulfonylpiperidin-3-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-phenylphenyl)-[(3R)-1-propan-2-ylsulfonylpiperidin-3-yl]methanone
PubChem CID25366958
Molecular FormulaC21H24FNO3S
Molecular Weight389.49 g/mol
Exact Mass389.15
IUPAC Name(3-fluoro-4-phenylphenyl)-[(3R)-1-propan-2-ylsulfonylpiperidin-3-yl]methanone
SMILESCC(C)S(=O)(=O)N1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)c(F)c2)C1
InChIInChI=1S/C21H24FNO3S/c1-15(2)27(25,26)23-12-6-9-18(14-23)21(24)17-10-11-19(20(22)13-17)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,15,18H,6,9,12,14H2,1-2H3/t18-/m1/s1
InChIKeyXJBVHVRPUISTLG-GOSISDBHSA-N
XLogP4.13
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.49
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Biphenylyl(1-methyl-3-piperidinyl)methanone
CID 23723212
N,N-dimethyl-3-[4-(trifluoromethyl)benzoyl]-1-piperidinesulfonamide
CID 16187917
3-[(2-fluorobiphenyl-4-yl)carbonyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 16189556
1-(4-Fluorophenyl)-3-(4-phenylpiperidin-1-yl)propan-1-one
CID 214212
[1-(Propane-1-sulfonyl)-piperidin-4-yl]-(3-trifluoromethyl-phenyl)-methanone
CID 647008
3-(4-biphenylylcarbonyl)-N,N-dimethyl-1-piperidinesulfonamide
CID 16187924
1-(4Fluorophenylsulphonyl)-4-(4-fluorobenzoyl)piperidine
CID 1085098
(4-Fluorophenyl)[1-(phenylsulfonyl)-4-piperidinyl]methanone
CID 1438176
(4-Fluorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 1438182
8a-benzyl-2-(butylsulfonyl)-1,2,3,4,8,8a-hexahydroisoquinolin-6(7H)-one
CID 44442907
1-Methanesulfonyl-3-(4-trifluoromethyl-benzoyl)-piperidin-4-one
CID 66927372
[1-[3,5-Bis(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-(4-methylphenyl)methanone
CID 2741116

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-phenylphenyl)-[(3R)-1-propan-2-ylsulfonylpiperidin-3-yl]methanone?
The IUPAC name of (3-fluoro-4-phenylphenyl)-[(3R)-1-propan-2-ylsulfonylpiperidin-3-yl]methanone (CID 25366958) is (3-fluoro-4-phenylphenyl)-[(3R)-1-propan-2-ylsulfonylpiperidin-3-yl]methanone.
What is the SMILES notation for (3-fluoro-4-phenylphenyl)-[(3R)-1-propan-2-ylsulfonylpiperidin-3-yl]methanone?
The canonical SMILES for (3-fluoro-4-phenylphenyl)-[(3R)-1-propan-2-ylsulfonylpiperidin-3-yl]methanone is CC(C)S(=O)(=O)N1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)c(F)c2)C1.
What is the InChIKey of (3-fluoro-4-phenylphenyl)-[(3R)-1-propan-2-ylsulfonylpiperidin-3-yl]methanone?
The InChIKey is XJBVHVRPUISTLG-GOSISDBHSA-N. The full InChI is InChI=1S/C21H24FNO3S/c1-15(2)27(25,26)23-12-6-9-18(14-23)21(24)17-10-11-19(20(22)13-17)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,15,18H,6,9,12,14H2,1-2H3/t18-/m1/s1.
What are the key properties of (3-fluoro-4-phenylphenyl)-[(3R)-1-propan-2-ylsulfonylpiperidin-3-yl]methanone?
(3-fluoro-4-phenylphenyl)-[(3R)-1-propan-2-ylsulfonylpiperidin-3-yl]methanone has a molecular weight of 389.49 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-phenylphenyl)-[(3R)-1-propan-2-ylsulfonylpiperidin-3-yl]methanone is sourced from PubChem (CID 25366958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).