1,3,4-oxadiazol-2-yl piperidine-1-carboxylate

C8H11N3O3 — CID 175191230

IUPAC1,3,4-oxadiazol-2-yl piperidine-1-carboxylate
SMILESO=C(Oc1nnco1)N1CCCCC1
InChIInChI=1S/C8H11N3O3/c12-8(11-4-2-1-3-5-11)14-7-10-9-6-13-7/h6H,1-5H2
InChIKeyVIOXMFLLIRFMLY-UHFFFAOYSA-N
MW197.19 g/mol
LogP1.05
Rot. Bonds1

About 1,3,4-oxadiazol-2-yl piperidine-1-carboxylate

1,3,4-oxadiazol-2-yl piperidine-1-carboxylate (PubChem CID 175191230) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 1,3,4-oxadiazol-2-yl piperidine-1-carboxylate.

Molecular Properties

Compound Name1,3,4-oxadiazol-2-yl piperidine-1-carboxylate
PubChem CID175191230
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name1,3,4-oxadiazol-2-yl piperidine-1-carboxylate
SMILESO=C(Oc1nnco1)N1CCCCC1
InChIInChI=1S/C8H11N3O3/c12-8(11-4-2-1-3-5-11)14-7-10-9-6-13-7/h6H,1-5H2
InChIKeyVIOXMFLLIRFMLY-UHFFFAOYSA-N
XLogP1.05
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3,4-oxadiazol-2-yl 2-methyl-2-piperidin-1-ylpropanoate;hydrochloride
CID 71090542
pyridazin-4-yl piperidine-1-carboxylate
CID 175189691
1,2-oxazol-5-yl piperidine-1-carboxylate
CID 24866165
azepan-1-yl-[4-(1,3,4-oxadiazol-2-yl)phenyl]methanone
CID 8869673
(4-fluorophenyl) piperidine-1-carboxylate
CID 895621
[4-(azepan-1-yl)-1,2,5-thiadiazol-3-yl] piperidine-1-carboxylate
CID 46867139
(2R)-1-(azepan-1-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-1-one
CID 40844528
piperidine-1-carboperoxoic acid
CID 18434275
pyrazin-2-yl pyrrolidine-1-carboxylate
CID 154365192
[2,6-di(propan-2-yl)phenyl] pyrrolidine-1-carboxylate
CID 67493330
(1-tert-butylimidazol-4-yl) piperidine-1-carboxylate
CID 175432180
(6-methoxy-3-pyridinyl) piperidine-1-carboxylate
CID 176955867

Frequently Asked Questions

What is the IUPAC name of 1,3,4-oxadiazol-2-yl piperidine-1-carboxylate?
The IUPAC name of 1,3,4-oxadiazol-2-yl piperidine-1-carboxylate (CID 175191230) is 1,3,4-oxadiazol-2-yl piperidine-1-carboxylate.
What is the SMILES notation for 1,3,4-oxadiazol-2-yl piperidine-1-carboxylate?
The canonical SMILES for 1,3,4-oxadiazol-2-yl piperidine-1-carboxylate is O=C(Oc1nnco1)N1CCCCC1.
What is the InChIKey of 1,3,4-oxadiazol-2-yl piperidine-1-carboxylate?
The InChIKey is VIOXMFLLIRFMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c12-8(11-4-2-1-3-5-11)14-7-10-9-6-13-7/h6H,1-5H2.
What are the key properties of 1,3,4-oxadiazol-2-yl piperidine-1-carboxylate?
1,3,4-oxadiazol-2-yl piperidine-1-carboxylate has a molecular weight of 197.19 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-oxadiazol-2-yl piperidine-1-carboxylate is sourced from PubChem (CID 175191230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).