cyclohexyl-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

C21H27N3O2 — CID 7298720

IUPACcyclohexyl-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCc1cccc(-c2noc([C@H]3CCCCN3C(=O)C3CCCCC3)n2)c1
InChIInChI=1S/C21H27N3O2/c1-15-8-7-11-17(14-15)19-22-20(26-23-19)18-12-5-6-13-24(18)21(25)16-9-3-2-4-10-16/h7-8,11,14,16,18H,2-6,9-10,12-13H2,1H3/t18-/m1/s1
InChIKeyCFHLROMIEPTBTD-GOSISDBHSA-N
MW353.47 g/mol
LogP4.68
Rot. Bonds3

About cyclohexyl-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

cyclohexyl-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (PubChem CID 7298720) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is cyclohexyl-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
PubChem CID7298720
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Namecyclohexyl-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCc1cccc(-c2noc([C@H]3CCCCN3C(=O)C3CCCCC3)n2)c1
InChIInChI=1S/C21H27N3O2/c1-15-8-7-11-17(14-15)19-22-20(26-23-19)18-12-5-6-13-24(18)21(25)16-9-3-2-4-10-16/h7-8,11,14,16,18H,2-6,9-10,12-13H2,1H3/t18-/m1/s1
InChIKeyCFHLROMIEPTBTD-GOSISDBHSA-N
XLogP4.68
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclohexyl-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone with MolForge

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Related Compounds

1-Morpholin-4-yl-4-(3-m-tolyl-[1,2,4]oxadiazol-5-yl)-butan-1-one
CID 1941616
N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-isopropyl-2,2-diphenylacetamide
CID 2215563
N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]tetrahydro-2H-pyran-4-amine
CID 16190446
Cyclohexyl-{3-[3-(4-fluoro-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-methanone
CID 649787
Cyclobutyl-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 4240363
[2-[3-(3-Chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclobutylmethanone
CID 16124095
2-Methoxy-1-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone
CID 16124099
3-naphthalen-2-yl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104914912
2-Phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 3474783
1-(3-p-Tolyl-[1,2,4]oxadiazol-5-ylmethyl)-piperidine-4-carboxylic acid amide
CID 648164
1-{4-[3-(4-Fluoro-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-2-phenyl-ethanone
CID 654525
1-[(3-Phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 662946

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (CID 7298720) is cyclohexyl-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is Cc1cccc(-c2noc([C@H]3CCCCN3C(=O)C3CCCCC3)n2)c1.
What is the InChIKey of cyclohexyl-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is CFHLROMIEPTBTD-GOSISDBHSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-15-8-7-11-17(14-15)19-22-20(26-23-19)18-12-5-6-13-24(18)21(25)16-9-3-2-4-10-16/h7-8,11,14,16,18H,2-6,9-10,12-13H2,1H3/t18-/m1/s1.
What are the key properties of cyclohexyl-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
cyclohexyl-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 353.47 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 7298720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).