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

C15H24N4O3 — CID 129494156

IUPACtert-butyl (3S,4S)-4-amino-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](N)[C@@H](c2nc(C3CC3)no2)C1
InChIInChI=1S/C15H24N4O3/c1-15(2,3)21-14(20)19-7-6-11(16)10(8-19)13-17-12(18-22-13)9-4-5-9/h9-11H,4-8,16H2,1-3H3/t10-,11-/m0/s1
InChIKeyXLKUYZMLUFZLHX-QWRGUYRKSA-N
MW308.38 g/mol
LogP2.00
Rot. Bonds2

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

tert-butyl (3S,4S)-4-amino-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate (PubChem CID 129494156) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is tert-butyl (3S,4S)-4-amino-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S,4S)-4-amino-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate
PubChem CID129494156
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Nametert-butyl (3S,4S)-4-amino-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](N)[C@@H](c2nc(C3CC3)no2)C1
InChIInChI=1S/C15H24N4O3/c1-15(2,3)21-14(20)19-7-6-11(16)10(8-19)13-17-12(18-22-13)9-4-5-9/h9-11H,4-8,16H2,1-3H3/t10-,11-/m0/s1
InChIKeyXLKUYZMLUFZLHX-QWRGUYRKSA-N
XLogP2.00
TPSA94.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl (3S,4S)-4-amino-3-(3-cyclopropyl-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,4R)-4-amino-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate
CID 129493540
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)-3-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-ethoxy-2-oxoethyl]pyrrolidine-1-carboxylate
CID 11003036
tert-butyl 7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-azabicyclo[2.2.2]oct-5-ene-2-carboxylate
CID 70385740
tert-butyl 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxylate
CID 90641592
tert-butyl 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 58002290
tert-butyl 2-(3-cyclononyl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxylate
CID 123705436
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 (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 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]piperidine-1-carboxylate
CID 55950542
tert-butyl (3R,4R)-4-amino-3-(2-methyl-3-pyridinyl)piperidine-1-carboxylate
CID 146402292

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,4S)-4-amino-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S,4S)-4-amino-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate (CID 129494156) is tert-butyl (3S,4S)-4-amino-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S,4S)-4-amino-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S,4S)-4-amino-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@H](N)[C@@H](c2nc(C3CC3)no2)C1.
What is the InChIKey of tert-butyl (3S,4S)-4-amino-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate?
The InChIKey is XLKUYZMLUFZLHX-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-15(2,3)21-14(20)19-7-6-11(16)10(8-19)13-17-12(18-22-13)9-4-5-9/h9-11H,4-8,16H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of tert-butyl (3S,4S)-4-amino-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate?
tert-butyl (3S,4S)-4-amino-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate has a molecular weight of 308.38 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,4S)-4-amino-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate is sourced from PubChem (CID 129494156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).