benzyl 3-(1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate

C15H17N3O3 — CID 171373542

IUPACbenzyl 3-(1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCCC(c2nnco2)C1
InChIInChI=1S/C15H17N3O3/c19-15(20-10-12-5-2-1-3-6-12)18-8-4-7-13(9-18)14-17-16-11-21-14/h1-3,5-6,11,13H,4,7-10H2
InChIKeyKJDZRPOQXPRTEW-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.59
Rot. Bonds3

About benzyl 3-(1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate

benzyl 3-(1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate (PubChem CID 171373542) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is benzyl 3-(1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-(1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate
PubChem CID171373542
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Namebenzyl 3-(1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCCC(c2nnco2)C1
InChIInChI=1S/C15H17N3O3/c19-15(20-10-12-5-2-1-3-6-12)18-8-4-7-13(9-18)14-17-16-11-21-14/h1-3,5-6,11,13H,4,7-10H2
InChIKeyKJDZRPOQXPRTEW-UHFFFAOYSA-N
XLogP2.59
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 3-methylpiperidine-1-carboxylate;ethane
CID 144599174
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CID 89171157
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CID 67555799
benzyl 3-azabicyclo[5.1.0]octane-3-carboxylate
CID 141040263
benzyl (3R,4R)-4-fluoro-3-hydroxyazepane-1-carboxylate
CID 118230294
benzyl 3-(methylamino)piperidine-1-carboxylate
CID 45072221
benzyl 3-(bromomethyl)piperidine-1-carboxylate
CID 23000675
benzyl 3-aminooxypiperidine-1-carboxylate;hydrochloride
CID 19077314
benzyl (3S)-3-acetylpiperidine-1-carboxylate
CID 86330253
benzyl (3S)-3-(acetyloxymethyl)piperidine-1-carboxylate
CID 10589659
benzyl 3-(4-ethylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 110678502
benzyl 3-methylpyrrolidine-1-carboxylate;ethane
CID 164877739

Frequently Asked Questions

What is the IUPAC name of benzyl 3-(1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate?
The IUPAC name of benzyl 3-(1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate (CID 171373542) is benzyl 3-(1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 3-(1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 3-(1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCCC(c2nnco2)C1.
What is the InChIKey of benzyl 3-(1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate?
The InChIKey is KJDZRPOQXPRTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-15(20-10-12-5-2-1-3-6-12)18-8-4-7-13(9-18)14-17-16-11-21-14/h1-3,5-6,11,13H,4,7-10H2.
What are the key properties of benzyl 3-(1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate?
benzyl 3-(1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate has a molecular weight of 287.32 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 171373542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).