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

C18H17N3O4S2 — CID 55569253

IUPAC(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 1-(thiophene-2-carbonyl)piperidine-3-carboxylate
SMILESO=C(OCc1noc(-c2cccs2)n1)C1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C18H17N3O4S2/c22-17(14-6-3-9-27-14)21-7-1-4-12(10-21)18(23)24-11-15-19-16(25-20-15)13-5-2-8-26-13/h2-3,5-6,8-9,12H,1,4,7,10-11H2
InChIKeyPLUXHAWZZYPDOV-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.46
Rot. Bonds5

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

(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 1-(thiophene-2-carbonyl)piperidine-3-carboxylate (PubChem CID 55569253) has the molecular formula C18H17N3O4S2 and a molecular weight of 403.49 g/mol. Its IUPAC name is (5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 1-(thiophene-2-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Name(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 1-(thiophene-2-carbonyl)piperidine-3-carboxylate
PubChem CID55569253
Molecular FormulaC18H17N3O4S2
Molecular Weight403.49 g/mol
Exact Mass403.07
IUPAC Name(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 1-(thiophene-2-carbonyl)piperidine-3-carboxylate
SMILESO=C(OCc1noc(-c2cccs2)n1)C1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C18H17N3O4S2/c22-17(14-6-3-9-27-14)21-7-1-4-12(10-21)18(23)24-11-15-19-16(25-20-15)13-5-2-8-26-13/h2-3,5-6,8-9,12H,1,4,7,10-11H2
InChIKeyPLUXHAWZZYPDOV-UHFFFAOYSA-N
XLogP3.46
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(thiophene-2-carbonyl)piperidine-3-carboxylate
CID 55557500
(4-pyrazol-1-ylphenyl)methyl 1-(thiophene-2-carbonyl)piperidine-3-carboxylate
CID 55556702
ethyl 1-[1-(thiophene-2-carbonyl)azetidine-3-carbonyl]piperidine-3-carboxylate
CID 90510988
[2-(cyclooctylamino)-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate
CID 55556918
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 2-piperidin-1-ylsulfonylbenzoate
CID 55448467
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate
CID 55555855
[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate
CID 55555852
ethyl 1-[2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetyl]piperidine-3-carboxylate
CID 20906318
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-thiophen-2-ylmethanone
CID 71687010
3-methyl-1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylic acid
CID 107072602
[1-(carbamoylamino)-1-oxopropan-2-yl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate
CID 55557016

Frequently Asked Questions

What is the IUPAC name of (5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 1-(thiophene-2-carbonyl)piperidine-3-carboxylate?
The IUPAC name of (5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 1-(thiophene-2-carbonyl)piperidine-3-carboxylate (CID 55569253) is (5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 1-(thiophene-2-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for (5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 1-(thiophene-2-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for (5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 1-(thiophene-2-carbonyl)piperidine-3-carboxylate is O=C(OCc1noc(-c2cccs2)n1)C1CCCN(C(=O)c2cccs2)C1.
What is the InChIKey of (5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 1-(thiophene-2-carbonyl)piperidine-3-carboxylate?
The InChIKey is PLUXHAWZZYPDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S2/c22-17(14-6-3-9-27-14)21-7-1-4-12(10-21)18(23)24-11-15-19-16(25-20-15)13-5-2-8-26-13/h2-3,5-6,8-9,12H,1,4,7,10-11H2.
What are the key properties of (5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 1-(thiophene-2-carbonyl)piperidine-3-carboxylate?
(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 1-(thiophene-2-carbonyl)piperidine-3-carboxylate has a molecular weight of 403.49 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 1-(thiophene-2-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 55569253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).