tert-butyl (2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidine-1-carboxylate

C15H25N3O4 — CID 135271418

IUPACtert-butyl (2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidine-1-carboxylate
SMILESCc1nc(CO[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)no1
InChIInChI=1S/C15H25N3O4/c1-10-8-12(20-9-13-16-11(2)22-17-13)6-7-18(10)14(19)21-15(3,4)5/h10,12H,6-9H2,1-5H3/t10-,12-/m0/s1
InChIKeyVVHYBDXTTJTWRO-JQWIXIFHSA-N
MW311.38 g/mol
LogP2.68
Rot. Bonds3

About tert-butyl (2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidine-1-carboxylate

tert-butyl (2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidine-1-carboxylate (PubChem CID 135271418) has the molecular formula C15H25N3O4 and a molecular weight of 311.38 g/mol. Its IUPAC name is tert-butyl (2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidine-1-carboxylate
PubChem CID135271418
Molecular FormulaC15H25N3O4
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Nametert-butyl (2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidine-1-carboxylate
SMILESCc1nc(CO[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)no1
InChIInChI=1S/C15H25N3O4/c1-10-8-12(20-9-13-16-11(2)22-17-13)6-7-18(10)14(19)21-15(3,4)5/h10,12H,6-9H2,1-5H3/t10-,12-/m0/s1
InChIKeyVVHYBDXTTJTWRO-JQWIXIFHSA-N
XLogP2.68
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl (2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidine-1-carboxylate with MolForge

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Related Compounds

(2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidine-1-carboxylic acid
CID 135260646
tert-butyl (2S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-1-carboxylate
CID 139500195
tert-butyl 4-[[5-(4-aminophenyl)-1,2,4-oxadiazol-3-yl]methoxy]piperidine-1-carboxylate
CID 89127589
tert-butyl (2R,4S)-4-hydroxy-2-methylpiperidine-1-carboxylate
CID 18653318
tert-butyl (2S)-4-iodo-2-methylpiperidine-1-carboxylate
CID 175815373
tert-butyl (2S)-4-tert-butyl-2-methylpiperidine-1-carboxylate
CID 102268017
tert-butyl (3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine-4-carboxylate
CID 97184598
tert-butyl 2-methyl-4-(2-methylbenzoyl)oxypiperidine-1-carboxylate
CID 175474929
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]cyclohexyl]methanol
CID 106825361
tert-butyl 4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperazine-1-carboxylate
CID 31122195
tert-butyl 4-[[5-(3-amino-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy]piperidine-1-carboxylate
CID 89127586
tert-butyl 4-[[5-(2-methoxy-4-methylsulfinylcyclohexyl)-1,2,4-oxadiazol-3-yl]methoxy]piperidine-1-carboxylate
CID 143388143

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidine-1-carboxylate (CID 135271418) is tert-butyl (2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidine-1-carboxylate is Cc1nc(CO[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)no1.
What is the InChIKey of tert-butyl (2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidine-1-carboxylate?
The InChIKey is VVHYBDXTTJTWRO-JQWIXIFHSA-N. The full InChI is InChI=1S/C15H25N3O4/c1-10-8-12(20-9-13-16-11(2)22-17-13)6-7-18(10)14(19)21-15(3,4)5/h10,12H,6-9H2,1-5H3/t10-,12-/m0/s1.
What are the key properties of tert-butyl (2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidine-1-carboxylate?
tert-butyl (2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidine-1-carboxylate has a molecular weight of 311.38 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidine-1-carboxylate is sourced from PubChem (CID 135271418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).