[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(thiophene-2-carbonyl)piperidine-3-carboxylate

C21H21N3O5S — CID 55557500

IUPAC[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(thiophene-2-carbonyl)piperidine-3-carboxylate
SMILESCOc1cccc(-c2noc(COC(=O)C3CCCN(C(=O)c4cccs4)C3)n2)c1
InChIInChI=1S/C21H21N3O5S/c1-27-16-7-2-5-14(11-16)19-22-18(29-23-19)13-28-21(26)15-6-3-9-24(12-15)20(25)17-8-4-10-30-17/h2,4-5,7-8,10-11,15H,3,6,9,12-13H2,1H3
InChIKeyGARLVMSKEKUATO-UHFFFAOYSA-N
MW427.48 g/mol
LogP3.40
Rot. Bonds6

About [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(thiophene-2-carbonyl)piperidine-3-carboxylate

[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(thiophene-2-carbonyl)piperidine-3-carboxylate (PubChem CID 55557500) has the molecular formula C21H21N3O5S and a molecular weight of 427.48 g/mol. Its IUPAC name is [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(thiophene-2-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Name[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(thiophene-2-carbonyl)piperidine-3-carboxylate
PubChem CID55557500
Molecular FormulaC21H21N3O5S
Molecular Weight427.48 g/mol
Exact Mass427.12
IUPAC Name[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(thiophene-2-carbonyl)piperidine-3-carboxylate
SMILESCOc1cccc(-c2noc(COC(=O)C3CCCN(C(=O)c4cccs4)C3)n2)c1
InChIInChI=1S/C21H21N3O5S/c1-27-16-7-2-5-14(11-16)19-22-18(29-23-19)13-28-21(26)15-6-3-9-24(12-15)20(25)17-8-4-10-30-17/h2,4-5,7-8,10-11,15H,3,6,9,12-13H2,1H3
InChIKeyGARLVMSKEKUATO-UHFFFAOYSA-N
XLogP3.40
TPSA94.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(thiophene-2-carbonyl)piperidine-3-carboxylate with MolForge

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Related Compounds

1-O-tert-butyl 3-O-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl] piperidine-1,3-dicarboxylate
CID 55444505
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55426090
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(4-chlorobenzoyl)piperidine-3-carboxylate
CID 42918297
(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 1-(thiophene-2-carbonyl)piperidine-3-carboxylate
CID 55569253
methyl (3S)-1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxylate
CID 133326662
[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 70316849
(3-methoxyphenyl)-[(3R)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 1456109
(3,5-dimethoxyphenyl)-[(3R)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 1456031
(2S)-1-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid
CID 124688617
ethyl 1-[1-(thiophene-2-carbonyl)azetidine-3-carbonyl]piperidine-3-carboxylate
CID 90510988
[(3R)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 1456111
[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl cyclohexanecarboxylate
CID 9416190

Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(thiophene-2-carbonyl)piperidine-3-carboxylate?
The IUPAC name of [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(thiophene-2-carbonyl)piperidine-3-carboxylate (CID 55557500) is [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(thiophene-2-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(thiophene-2-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(thiophene-2-carbonyl)piperidine-3-carboxylate is COc1cccc(-c2noc(COC(=O)C3CCCN(C(=O)c4cccs4)C3)n2)c1.
What is the InChIKey of [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(thiophene-2-carbonyl)piperidine-3-carboxylate?
The InChIKey is GARLVMSKEKUATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5S/c1-27-16-7-2-5-14(11-16)19-22-18(29-23-19)13-28-21(26)15-6-3-9-24(12-15)20(25)17-8-4-10-30-17/h2,4-5,7-8,10-11,15H,3,6,9,12-13H2,1H3.
What are the key properties of [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(thiophene-2-carbonyl)piperidine-3-carboxylate?
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(thiophene-2-carbonyl)piperidine-3-carboxylate has a molecular weight of 427.48 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(thiophene-2-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 55557500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).