1-(4-fluorophenyl)sulfonyl-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-4-carboxamide

C23H25FN4O5S — CID 100654197

IUPAC1-(4-fluorophenyl)sulfonyl-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-4-carboxamide
SMILESCOc1cccc(-c2noc(CN(C)C(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)n2)c1
InChIInChI=1S/C23H25FN4O5S/c1-27(15-21-25-22(26-33-21)17-4-3-5-19(14-17)32-2)23(29)16-10-12-28(13-11-16)34(30,31)20-8-6-18(24)7-9-20/h3-9,14,16H,10-13,15H2,1-2H3
InChIKeyUTGISRQESMGQBB-UHFFFAOYSA-N
MW488.54 g/mol
LogP2.94
Rot. Bonds7

About 1-(4-fluorophenyl)sulfonyl-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-4-carboxamide

1-(4-fluorophenyl)sulfonyl-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-4-carboxamide (PubChem CID 100654197) has the molecular formula C23H25FN4O5S and a molecular weight of 488.54 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-4-carboxamide
PubChem CID100654197
Molecular FormulaC23H25FN4O5S
Molecular Weight488.54 g/mol
Exact Mass488.15
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-4-carboxamide
SMILESCOc1cccc(-c2noc(CN(C)C(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)n2)c1
InChIInChI=1S/C23H25FN4O5S/c1-27(15-21-25-22(26-33-21)17-4-3-5-19(14-17)32-2)23(29)16-10-12-28(13-11-16)34(30,31)20-8-6-18(24)7-9-20/h3-9,14,16H,10-13,15H2,1-2H3
InChIKeyUTGISRQESMGQBB-UHFFFAOYSA-N
XLogP2.94
TPSA105.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.54
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(benzenesulfonyl)-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 100647219
1-(4-methoxyphenyl)sulfonyl-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 100657768
(3R)-1-(benzenesulfonyl)-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-3-carboxamide
CID 100662947
1-(4-methoxyphenyl)sulfonyl-N-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 100657973
N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 133189387
5-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 4024478
(3S)-1-(4-fluorophenyl)sulfonyl-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 100672067
N-methyl-1-methylsulfonyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 50945556
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133168155
(4-fluorophenyl)-[4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
CID 91906465
3-(2,6-dichlorophenyl)-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropanamide
CID 100604591
1-(benzenesulfonyl)-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 133167913

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-4-carboxamide (CID 100654197) is 1-(4-fluorophenyl)sulfonyl-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-4-carboxamide is COc1cccc(-c2noc(CN(C)C(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)n2)c1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is UTGISRQESMGQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O5S/c1-27(15-21-25-22(26-33-21)17-4-3-5-19(14-17)32-2)23(29)16-10-12-28(13-11-16)34(30,31)20-8-6-18(24)7-9-20/h3-9,14,16H,10-13,15H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-4-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 488.54 g/mol, XLogP of 2.94, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 100654197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).