(3R)-N-cyclohexyl-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpiperidine-1-sulfonamide

C20H27FN4O3S — CID 98731404

IUPAC(3R)-N-cyclohexyl-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpiperidine-1-sulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1
InChIInChI=1S/C20H27FN4O3S/c1-24(18-10-3-2-4-11-18)29(26,27)25-12-6-8-16(14-25)20-22-19(23-28-20)15-7-5-9-17(21)13-15/h5,7,9,13,16,18H,2-4,6,8,10-12,14H2,1H3/t16-/m1/s1
InChIKeyDLPXXZDMCMCGAU-MRXNPFEDSA-N
MW422.53 g/mol
LogP3.56
Rot. Bonds5

About (3R)-N-cyclohexyl-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpiperidine-1-sulfonamide

(3R)-N-cyclohexyl-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpiperidine-1-sulfonamide (PubChem CID 98731404) has the molecular formula C20H27FN4O3S and a molecular weight of 422.53 g/mol. Its IUPAC name is (3R)-N-cyclohexyl-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name(3R)-N-cyclohexyl-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpiperidine-1-sulfonamide
PubChem CID98731404
Molecular FormulaC20H27FN4O3S
Molecular Weight422.53 g/mol
Exact Mass422.18
IUPAC Name(3R)-N-cyclohexyl-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpiperidine-1-sulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1
InChIInChI=1S/C20H27FN4O3S/c1-24(18-10-3-2-4-11-18)29(26,27)25-12-6-8-16(14-25)20-22-19(23-28-20)15-7-5-9-17(21)13-15/h5,7,9,13,16,18H,2-4,6,8,10-12,14H2,1H3/t16-/m1/s1
InChIKeyDLPXXZDMCMCGAU-MRXNPFEDSA-N
XLogP3.56
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R)-N-cyclohexyl-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpiperidine-1-sulfonamide with MolForge

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Related Compounds

5-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole
CID 45498643
5-[(3S)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole
CID 51613793
2-ethyl-1-[(3R)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 52839769
1-[(3S)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-methylbutan-1-one
CID 95161118
3-(3-methoxyphenyl)-5-[(3R)-1-methylsulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 99817783
2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetic acid;hydrochloride
CID 119921304
tert-butyl 3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 66618671
5-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole
CID 3225926
3-(3-fluorophenyl)-5-[(3S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole
CID 95275327
(3R)-N-[(2S)-butan-2-yl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 95283267
3-(3-fluorophenyl)-5-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-1,2,4-oxadiazole
CID 133482714
3-(3-methoxyphenyl)-5-(1-propylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole
CID 649557

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclohexyl-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpiperidine-1-sulfonamide?
The IUPAC name of (3R)-N-cyclohexyl-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpiperidine-1-sulfonamide (CID 98731404) is (3R)-N-cyclohexyl-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpiperidine-1-sulfonamide.
What is the SMILES notation for (3R)-N-cyclohexyl-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpiperidine-1-sulfonamide?
The canonical SMILES for (3R)-N-cyclohexyl-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpiperidine-1-sulfonamide is CN(C1CCCCC1)S(=O)(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1.
What is the InChIKey of (3R)-N-cyclohexyl-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpiperidine-1-sulfonamide?
The InChIKey is DLPXXZDMCMCGAU-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H27FN4O3S/c1-24(18-10-3-2-4-11-18)29(26,27)25-12-6-8-16(14-25)20-22-19(23-28-20)15-7-5-9-17(21)13-15/h5,7,9,13,16,18H,2-4,6,8,10-12,14H2,1H3/t16-/m1/s1.
What are the key properties of (3R)-N-cyclohexyl-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpiperidine-1-sulfonamide?
(3R)-N-cyclohexyl-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpiperidine-1-sulfonamide has a molecular weight of 422.53 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclohexyl-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 98731404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).