2-cyclohexyl-1-[3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone

C25H34N4O4S — CID 3226204

IUPAC2-cyclohexyl-1-[3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
SMILESO=C(CC1CCCCC1)N1CCCC(c2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)no2)C1
InChIInChI=1S/C25H34N4O4S/c30-23(17-19-7-2-1-3-8-19)28-14-6-9-21(18-28)25-26-24(27-33-25)20-10-12-22(13-11-20)34(31,32)29-15-4-5-16-29/h10-13,19,21H,1-9,14-18H2
InChIKeyQXGIORGJKHSRIV-UHFFFAOYSA-N
MW486.64 g/mol
LogP4.20
Rot. Bonds6

About 2-cyclohexyl-1-[3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone

2-cyclohexyl-1-[3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone (PubChem CID 3226204) has the molecular formula C25H34N4O4S and a molecular weight of 486.64 g/mol. Its IUPAC name is 2-cyclohexyl-1-[3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
PubChem CID3226204
Molecular FormulaC25H34N4O4S
Molecular Weight486.64 g/mol
Exact Mass486.23
IUPAC Name2-cyclohexyl-1-[3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
SMILESO=C(CC1CCCCC1)N1CCCC(c2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)no2)C1
InChIInChI=1S/C25H34N4O4S/c30-23(17-19-7-2-1-3-8-19)28-14-6-9-21(18-28)25-26-24(27-33-25)20-10-12-22(13-11-20)34(31,32)29-15-4-5-16-29/h10-13,19,21H,1-9,14-18H2
InChIKeyQXGIORGJKHSRIV-UHFFFAOYSA-N
XLogP4.20
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.64
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-Fluorophenyl)-5-(1-(4-fluorophenylsulfonyl)piperidin-3-yl)-1,2,4-oxadiazole
CID 3433401
N,N-diethyl-4-[(3R)-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperazine-1-carbonyl]piperidin-1-yl]sulfonylbenzamide
CID 162365383
3-[3-(4-Fluoro-phenyl)-[1,2,4]oxadiazol-5-yl]-1-phenylmethanesulfonyl-piperidine
CID 647351
3-{3-[4-(Pyrrolidine-1-sulfonyl)-phenyl]-[1,2,4]oxadiazol-5-yl}-piperidine-1-carboxylic acid cyclohexylamide
CID 648652
4-{3-[4-(Pyrrolidine-1-sulfonyl)-phenyl]-[1,2,4]oxadiazol-5-yl}-piperidine-1-carboxylic acid cyclohexylamide
CID 650981
N-Benzyl-4-[5-(1-methanesulfonyl-piperidin-3-yl)-[1,2,4]oxadiazol-3-yl]-benzenesulfonamide
CID 652610
2-Methyl-1-(4-{3-[4-(pyrrolidine-1-sulfonyl)-phenyl]-[1,2,4]oxadiazol-5-yl}-piperidin-1-yl)-propan-1-one
CID 1453639
Cyclopropyl-(4-{3-[4-(pyrrolidine-1-sulfonyl)-phenyl]-[1,2,4]oxadiazol-5-yl}-piperidin-1-yl)-methanone
CID 1453643
2-Cyclohexyl-1-(4-{3-[4-(pyrrolidine-1-sulfonyl)-phenyl]-[1,2,4]oxadiazol-5-yl}-piperidin-1-yl)-ethanone
CID 3225852
4-{3-[4-(Pyrrolidine-1-sulfonyl)phenyl]-1,2,4-oxadiazol-5-YL}-1-[4-(trifluoromethyl)benzoyl]piperidine
CID 16014056
cyclohexyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 71654664
2-Methyl-1-[4-[3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one
CID 1383723

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclohexyl-1-[3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone (CID 3226204) is 2-cyclohexyl-1-[3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclohexyl-1-[3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclohexyl-1-[3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone is O=C(CC1CCCCC1)N1CCCC(c2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)no2)C1.
What is the InChIKey of 2-cyclohexyl-1-[3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?
The InChIKey is QXGIORGJKHSRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O4S/c30-23(17-19-7-2-1-3-8-19)28-14-6-9-21(18-28)25-26-24(27-33-25)20-10-12-22(13-11-20)34(31,32)29-15-4-5-16-29/h10-13,19,21H,1-9,14-18H2.
What are the key properties of 2-cyclohexyl-1-[3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?
2-cyclohexyl-1-[3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone has a molecular weight of 486.64 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 3226204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).