tert-butyl 4-[3-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate

C17H26N4O4 — CID 142520820

IUPACtert-butyl 4-[3-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2nc(N3CCC34COC4)no2)CC1
InChIInChI=1S/C17H26N4O4/c1-16(2,3)24-15(22)20-7-4-12(5-8-20)13-18-14(19-25-13)21-9-6-17(21)10-23-11-17/h12H,4-11H2,1-3H3
InChIKeyHWMFDFDAOYNPJM-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.16
Rot. Bonds2

About tert-butyl 4-[3-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate

tert-butyl 4-[3-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate (PubChem CID 142520820) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is tert-butyl 4-[3-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
PubChem CID142520820
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC Nametert-butyl 4-[3-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2nc(N3CCC34COC4)no2)CC1
InChIInChI=1S/C17H26N4O4/c1-16(2,3)24-15(22)20-7-4-12(5-8-20)13-18-14(19-25-13)21-9-6-17(21)10-23-11-17/h12H,4-11H2,1-3H3
InChIKeyHWMFDFDAOYNPJM-UHFFFAOYSA-N
XLogP2.16
TPSA80.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[3-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-[3-(3-methylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 142719047
methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate
CID 67460578
tert-butyl 4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 24803442
tert-butyl 4-(1,3-oxazol-2-yl)piperidine-1-carboxylate
CID 131229980
tert-butyl 4-[3-(6,7-difluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 142718934
tert-butyl 4-[3-[2-(oxolan-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 137439530
tert-butyl 4-[3-(1-methylimidazo[1,5-a]pyridin-7-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 142337967
tert-butyl 4-(5-amino-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate
CID 95566122
tert-butyl 4-[3-[2-(1-acetylazetidin-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 134477535
tert-butyl 4-[3-(chloromethyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate
CID 178200886
tert-butyl (4R)-4-(1,3-oxazol-2-yl)azepane-1-carboxylate
CID 170903655
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate (CID 142520820) is tert-butyl 4-[3-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2nc(N3CCC34COC4)no2)CC1.
What is the InChIKey of tert-butyl 4-[3-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate?
The InChIKey is HWMFDFDAOYNPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-16(2,3)24-15(22)20-7-4-12(5-8-20)13-18-14(19-25-13)21-9-6-17(21)10-23-11-17/h12H,4-11H2,1-3H3.
What are the key properties of tert-butyl 4-[3-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate?
tert-butyl 4-[3-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate has a molecular weight of 350.42 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate is sourced from PubChem (CID 142520820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).