(2R,6R)-1-(benzenesulfonyl)-2-methoxy-6-phenylpiperidin-4-one

C18H19NO4S — CID 132572092

IUPAC(2R,6R)-1-(benzenesulfonyl)-2-methoxy-6-phenylpiperidin-4-one
SMILESCO[C@@H]1CC(=O)C[C@H](c2ccccc2)N1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H19NO4S/c1-23-18-13-15(20)12-17(14-8-4-2-5-9-14)19(18)24(21,22)16-10-6-3-7-11-16/h2-11,17-18H,12-13H2,1H3/t17-,18-/m1/s1
InChIKeyPXLCCYQRXOMCAS-QZTJIDSGSA-N
MW345.42 g/mol
LogP2.75
Rot. Bonds4

About (2R,6R)-1-(benzenesulfonyl)-2-methoxy-6-phenylpiperidin-4-one

(2R,6R)-1-(benzenesulfonyl)-2-methoxy-6-phenylpiperidin-4-one (PubChem CID 132572092) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is (2R,6R)-1-(benzenesulfonyl)-2-methoxy-6-phenylpiperidin-4-one.

Molecular Properties

Compound Name(2R,6R)-1-(benzenesulfonyl)-2-methoxy-6-phenylpiperidin-4-one
PubChem CID132572092
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC Name(2R,6R)-1-(benzenesulfonyl)-2-methoxy-6-phenylpiperidin-4-one
SMILESCO[C@@H]1CC(=O)C[C@H](c2ccccc2)N1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H19NO4S/c1-23-18-13-15(20)12-17(14-8-4-2-5-9-14)19(18)24(21,22)16-10-6-3-7-11-16/h2-11,17-18H,12-13H2,1H3/t17-,18-/m1/s1
InChIKeyPXLCCYQRXOMCAS-QZTJIDSGSA-N
XLogP2.75
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-5-(4-methylphenyl)pyrrolidin-3-one
CID 102590772
(2R,5R)-1-(benzenesulfonyl)-2-methyl-5-phenylpyrrolidine
CID 59100228
1-(benzenesulfonyl)-2-phenylaziridine
CID 576325
(1R,3R)-1-methyl-2-(4-methylphenyl)sulfonyl-3-phenyl-3,4-dihydro-1H-isoquinoline
CID 15425714
(3R,4S)-1-(benzenesulfonyl)-3-methoxy-4-phenylazetidin-2-one
CID 16757039
1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
ethyl (2R,6R)-1-(benzenesulfonyl)-4-hydroxy-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate
CID 54728733
(2S,4aR,7S,8aS)-1-(benzenesulfonyl)-2-(4-methoxyphenyl)-7-(4-methylphenyl)-6-(4-methylphenyl)sulfonyl-3,4a,5,7,8,8a-hexahydro-2H-1,6-naphthyridin-4-one
CID 140958121
1-nitroso-2,6-diphenylpiperidin-4-one
CID 14663661
5-methoxy-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydrobenzo[g]indole
CID 134946152
methyl (2R,6S)-4-hydroxy-1-(4-methylphenyl)sulfonyl-2-phenyl-6-propyl-3,6-dihydro-2H-pyridine-5-carboxylate
CID 139038743
(2R,4R)-3-(4-methylphenyl)sulfonyl-2,4-diphenyl-1,3-oxazolidine
CID 102473250

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-1-(benzenesulfonyl)-2-methoxy-6-phenylpiperidin-4-one?
The IUPAC name of (2R,6R)-1-(benzenesulfonyl)-2-methoxy-6-phenylpiperidin-4-one (CID 132572092) is (2R,6R)-1-(benzenesulfonyl)-2-methoxy-6-phenylpiperidin-4-one.
What is the SMILES notation for (2R,6R)-1-(benzenesulfonyl)-2-methoxy-6-phenylpiperidin-4-one?
The canonical SMILES for (2R,6R)-1-(benzenesulfonyl)-2-methoxy-6-phenylpiperidin-4-one is CO[C@@H]1CC(=O)C[C@H](c2ccccc2)N1S(=O)(=O)c1ccccc1.
What is the InChIKey of (2R,6R)-1-(benzenesulfonyl)-2-methoxy-6-phenylpiperidin-4-one?
The InChIKey is PXLCCYQRXOMCAS-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H19NO4S/c1-23-18-13-15(20)12-17(14-8-4-2-5-9-14)19(18)24(21,22)16-10-6-3-7-11-16/h2-11,17-18H,12-13H2,1H3/t17-,18-/m1/s1.
What are the key properties of (2R,6R)-1-(benzenesulfonyl)-2-methoxy-6-phenylpiperidin-4-one?
(2R,6R)-1-(benzenesulfonyl)-2-methoxy-6-phenylpiperidin-4-one has a molecular weight of 345.42 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-1-(benzenesulfonyl)-2-methoxy-6-phenylpiperidin-4-one is sourced from PubChem (CID 132572092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).