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

C15H26N4O3 — CID 129494256

IUPACtert-butyl (3R,4R)-4-amino-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate
SMILESCC(C)c1noc([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2N)n1
InChIInChI=1S/C15H26N4O3/c1-9(2)12-17-13(22-18-12)10-8-19(7-6-11(10)16)14(20)21-15(3,4)5/h9-11H,6-8,16H2,1-5H3/t10-,11-/m1/s1
InChIKeyXUHSTPJHUGDSQD-GHMZBOCLSA-N
MW310.40 g/mol
LogP2.24
Rot. Bonds2

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

tert-butyl (3R,4R)-4-amino-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate (PubChem CID 129494256) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is tert-butyl (3R,4R)-4-amino-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,4R)-4-amino-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate
PubChem CID129494256
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Nametert-butyl (3R,4R)-4-amino-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate
SMILESCC(C)c1noc([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2N)n1
InChIInChI=1S/C15H26N4O3/c1-9(2)12-17-13(22-18-12)10-8-19(7-6-11(10)16)14(20)21-15(3,4)5/h9-11H,6-8,16H2,1-5H3/t10-,11-/m1/s1
InChIKeyXUHSTPJHUGDSQD-GHMZBOCLSA-N
XLogP2.24
TPSA94.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl (3R,4R)-4-amino-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl (3S,4R)-4-amino-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate
CID 129493540
tert-butyl (3S,4S)-4-amino-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate
CID 129494156
1-O-tert-butyl 3-O-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl] piperidine-1,3-dicarboxylate
CID 55539435
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 (3S,4R)-4-amino-3-(2-methylpropyl)piperidine-1-carboxylate
CID 123134891
tert-butyl (3R,4R)-3-amino-4-propan-2-ylpiperidine-1-carboxylate
CID 76844460
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,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 (3R,4S)-4-amino-3-(dimethylamino)piperidine-1-carboxylate
CID 86648776

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4R)-4-amino-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,4R)-4-amino-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate (CID 129494256) is tert-butyl (3R,4R)-4-amino-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,4R)-4-amino-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,4R)-4-amino-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate is CC(C)c1noc([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2N)n1.
What is the InChIKey of tert-butyl (3R,4R)-4-amino-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate?
The InChIKey is XUHSTPJHUGDSQD-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-9(2)12-17-13(22-18-12)10-8-19(7-6-11(10)16)14(20)21-15(3,4)5/h9-11H,6-8,16H2,1-5H3/t10-,11-/m1/s1.
What are the key properties of tert-butyl (3R,4R)-4-amino-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate?
tert-butyl (3R,4R)-4-amino-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate has a molecular weight of 310.40 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,4R)-4-amino-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate is sourced from PubChem (CID 129494256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).