tert-butyl 4-[5-[6-(oxetan-3-yloxy)-1,2,3,6-tetrahydropyridin-3-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate

C20H30N4O5 — CID 155066830

IUPACtert-butyl 4-[5-[6-(oxetan-3-yloxy)-1,2,3,6-tetrahydropyridin-3-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2noc(C3C=CC(OC4COC4)NC3)n2)CC1
InChIInChI=1S/C20H30N4O5/c1-20(2,3)28-19(25)24-8-6-13(7-9-24)17-22-18(29-23-17)14-4-5-16(21-10-14)27-15-11-26-12-15/h4-5,13-16,21H,6-12H2,1-3H3
InChIKeyZADNODBTZUKWJQ-UHFFFAOYSA-N
MW406.48 g/mol
LogP2.17
Rot. Bonds4

About tert-butyl 4-[5-[6-(oxetan-3-yloxy)-1,2,3,6-tetrahydropyridin-3-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate

tert-butyl 4-[5-[6-(oxetan-3-yloxy)-1,2,3,6-tetrahydropyridin-3-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate (PubChem CID 155066830) has the molecular formula C20H30N4O5 and a molecular weight of 406.48 g/mol. Its IUPAC name is tert-butyl 4-[5-[6-(oxetan-3-yloxy)-1,2,3,6-tetrahydropyridin-3-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-[6-(oxetan-3-yloxy)-1,2,3,6-tetrahydropyridin-3-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
PubChem CID155066830
Molecular FormulaC20H30N4O5
Molecular Weight406.48 g/mol
Exact Mass406.22
IUPAC Nametert-butyl 4-[5-[6-(oxetan-3-yloxy)-1,2,3,6-tetrahydropyridin-3-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2noc(C3C=CC(OC4COC4)NC3)n2)CC1
InChIInChI=1S/C20H30N4O5/c1-20(2,3)28-19(25)24-8-6-13(7-9-24)17-22-18(29-23-17)14-4-5-16(21-10-14)27-15-11-26-12-15/h4-5,13-16,21H,6-12H2,1-3H3
InChIKeyZADNODBTZUKWJQ-UHFFFAOYSA-N
XLogP2.17
TPSA98.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl 4-[5-[6-(oxetan-3-yloxy)-1,2,3,6-tetrahydropyridin-3-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[5-[1-(oxetan-3-yl)-6-oxo-3-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 137439750
tert-butyl 4-[5-[2-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 137439268
tert-butyl (3S,4S)-4-amino-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate
CID 129494156
tert-butyl 4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 24803442
tert-butyl 2-(3-cyclononyl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxylate
CID 123705436
methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate
CID 67460578
tert-butyl 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate;1-O-tert-butyl 4-O-ethyl piperidine-1,4-dicarboxylate;N'-hydroxycyclopropanecarboximidamide
CID 159134914
tert-butyl 4-[(S)-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-(4-fluorophenyl)methyl]piperidine-1-carboxylate
CID 139510091
tert-butyl 4-[5-[(E)-2-pyridin-3-ylethenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 11233605
tert-butyl 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 58002290
tert-butyl 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]piperidine-1-carboxylate
CID 55950542
tert-butyl 4-[3-(chloromethyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate
CID 178200886

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-[6-(oxetan-3-yloxy)-1,2,3,6-tetrahydropyridin-3-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-[6-(oxetan-3-yloxy)-1,2,3,6-tetrahydropyridin-3-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate (CID 155066830) is tert-butyl 4-[5-[6-(oxetan-3-yloxy)-1,2,3,6-tetrahydropyridin-3-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-[6-(oxetan-3-yloxy)-1,2,3,6-tetrahydropyridin-3-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-[6-(oxetan-3-yloxy)-1,2,3,6-tetrahydropyridin-3-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2noc(C3C=CC(OC4COC4)NC3)n2)CC1.
What is the InChIKey of tert-butyl 4-[5-[6-(oxetan-3-yloxy)-1,2,3,6-tetrahydropyridin-3-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
The InChIKey is ZADNODBTZUKWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O5/c1-20(2,3)28-19(25)24-8-6-13(7-9-24)17-22-18(29-23-17)14-4-5-16(21-10-14)27-15-11-26-12-15/h4-5,13-16,21H,6-12H2,1-3H3.
What are the key properties of tert-butyl 4-[5-[6-(oxetan-3-yloxy)-1,2,3,6-tetrahydropyridin-3-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
tert-butyl 4-[5-[6-(oxetan-3-yloxy)-1,2,3,6-tetrahydropyridin-3-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate has a molecular weight of 406.48 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-[6-(oxetan-3-yloxy)-1,2,3,6-tetrahydropyridin-3-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 155066830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).