tert-butyl (3S,4R)-4-amino-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate

C13H22N4O3 — CID 129493540

IUPACtert-butyl (3S,4R)-4-amino-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate
SMILESCc1noc([C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2N)n1
InChIInChI=1S/C13H22N4O3/c1-8-15-11(20-16-8)9-7-17(6-5-10(9)14)12(18)19-13(2,3)4/h9-10H,5-7,14H2,1-4H3/t9-,10+/m0/s1
InChIKeyOXZGVGZJAUEROL-VHSXEESVSA-N
MW282.34 g/mol
LogP1.43
Rot. Bonds1

About tert-butyl (3S,4R)-4-amino-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate

tert-butyl (3S,4R)-4-amino-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate (PubChem CID 129493540) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is tert-butyl (3S,4R)-4-amino-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S,4R)-4-amino-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate
PubChem CID129493540
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Nametert-butyl (3S,4R)-4-amino-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate
SMILESCc1noc([C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2N)n1
InChIInChI=1S/C13H22N4O3/c1-8-15-11(20-16-8)9-7-17(6-5-10(9)14)12(18)19-13(2,3)4/h9-10H,5-7,14H2,1-4H3/t9-,10+/m0/s1
InChIKeyOXZGVGZJAUEROL-VHSXEESVSA-N
XLogP1.43
TPSA94.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl (3S,4R)-4-amino-3-(3-methyl-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 (3S,4S)-4-amino-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate
CID 129494156
tert-butyl (3R,4R)-4-amino-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate
CID 129494256
tert-butyl (3R,4R)-4-amino-3-(2-methyl-3-pyridinyl)piperidine-1-carboxylate
CID 146402292
tert-butyl (3R,4S)-4-amino-3-cyclopropylpiperidine-1-carboxylate
CID 155905077
tert-butyl (3R,4S)-4-amino-3-(4-fluorophenyl)piperidine-1-carboxylate
CID 58356142
tert-butyl (3S,4R)-4-amino-3-methylpiperidine-1-carboxylate;hydrochloride
CID 121229157
tert-butyl (3R,4R)-4-amino-3-ethylpiperidine-1-carboxylate;hydrochloride
CID 127264231
tert-butyl (3aR,7aR)-3-(3-aminoazetidin-1-yl)-4,6,7,7a-tetrahydro-3aH-[1,2]oxazolo[4,5-c]pyridine-5-carboxylate
CID 165366627
tert-butyl 4-amino-3-(2,2,2-trifluoroethyl)piperidine-1-carboxylate
CID 84812421
tert-butyl 3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]azetidine-1-carboxylate
CID 63303055
tert-butyl (6R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 130346995
tert-butyl (3R,4S)-4-amino-3-(dimethylamino)piperidine-1-carboxylate
CID 86648776

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,4R)-4-amino-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S,4R)-4-amino-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate (CID 129493540) is tert-butyl (3S,4R)-4-amino-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S,4R)-4-amino-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S,4R)-4-amino-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate is Cc1noc([C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2N)n1.
What is the InChIKey of tert-butyl (3S,4R)-4-amino-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate?
The InChIKey is OXZGVGZJAUEROL-VHSXEESVSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-8-15-11(20-16-8)9-7-17(6-5-10(9)14)12(18)19-13(2,3)4/h9-10H,5-7,14H2,1-4H3/t9-,10+/m0/s1.
What are the key properties of tert-butyl (3S,4R)-4-amino-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate?
tert-butyl (3S,4R)-4-amino-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate has a molecular weight of 282.34 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,4R)-4-amino-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate is sourced from PubChem (CID 129493540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).