2-[1-(4-cyclohexylphenyl)sulfonylpiperidin-4-yl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole

C26H31N3O4S — CID 20867361

IUPAC2-[1-(4-cyclohexylphenyl)sulfonylpiperidin-4-yl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccccc1-c1nnc(C2CCN(S(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)o1
InChIInChI=1S/C26H31N3O4S/c1-32-24-10-6-5-9-23(24)26-28-27-25(33-26)21-15-17-29(18-16-21)34(30,31)22-13-11-20(12-14-22)19-7-3-2-4-8-19/h5-6,9-14,19,21H,2-4,7-8,15-18H2,1H3
InChIKeyFEDKKIVLQOEOBW-UHFFFAOYSA-N
MW481.62 g/mol
LogP5.36
Rot. Bonds6

About 2-[1-(4-cyclohexylphenyl)sulfonylpiperidin-4-yl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole

2-[1-(4-cyclohexylphenyl)sulfonylpiperidin-4-yl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole (PubChem CID 20867361) has the molecular formula C26H31N3O4S and a molecular weight of 481.62 g/mol. Its IUPAC name is 2-[1-(4-cyclohexylphenyl)sulfonylpiperidin-4-yl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(4-cyclohexylphenyl)sulfonylpiperidin-4-yl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole
PubChem CID20867361
Molecular FormulaC26H31N3O4S
Molecular Weight481.62 g/mol
Exact Mass481.20
IUPAC Name2-[1-(4-cyclohexylphenyl)sulfonylpiperidin-4-yl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccccc1-c1nnc(C2CCN(S(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)o1
InChIInChI=1S/C26H31N3O4S/c1-32-24-10-6-5-9-23(24)26-28-27-25(33-26)21-15-17-29(18-16-21)34(30,31)22-13-11-20(12-14-22)19-7-3-2-4-8-19/h5-6,9-14,19,21H,2-4,7-8,15-18H2,1H3
InChIKeyFEDKKIVLQOEOBW-UHFFFAOYSA-N
XLogP5.36
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.62
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-yl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole
CID 132672869
2-[(3S)-1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
CID 99963554
2-[(3S)-1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole
CID 99963762
2-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole
CID 132675743
5-[1-(benzenesulfonyl)piperidin-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 2986760
2-(furan-3-yl)-5-[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]-1,3,4-oxadiazole
CID 90543488
1-(4-cyclohexylphenyl)sulfonyl-4-(2-methoxyphenyl)pyrazol-3-amine
CID 1248632
2-(2-methoxyphenyl)-5-piperidin-3-yl-1,3,4-oxadiazole
CID 82044862
1-(4-cyclohexylphenyl)sulfonyl-3-(2-methoxyphenyl)pyrazol-5-amine
CID 20873580
N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2158917
2-[1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 55387528
2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 99963344

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-cyclohexylphenyl)sulfonylpiperidin-4-yl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(4-cyclohexylphenyl)sulfonylpiperidin-4-yl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole (CID 20867361) is 2-[1-(4-cyclohexylphenyl)sulfonylpiperidin-4-yl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(4-cyclohexylphenyl)sulfonylpiperidin-4-yl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(4-cyclohexylphenyl)sulfonylpiperidin-4-yl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole is COc1ccccc1-c1nnc(C2CCN(S(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)o1.
What is the InChIKey of 2-[1-(4-cyclohexylphenyl)sulfonylpiperidin-4-yl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is FEDKKIVLQOEOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4S/c1-32-24-10-6-5-9-23(24)26-28-27-25(33-26)21-15-17-29(18-16-21)34(30,31)22-13-11-20(12-14-22)19-7-3-2-4-8-19/h5-6,9-14,19,21H,2-4,7-8,15-18H2,1H3.
What are the key properties of 2-[1-(4-cyclohexylphenyl)sulfonylpiperidin-4-yl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole?
2-[1-(4-cyclohexylphenyl)sulfonylpiperidin-4-yl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 481.62 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-cyclohexylphenyl)sulfonylpiperidin-4-yl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 20867361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).