tert-butyl (3R)-3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxypiperidine-1-carboxylate

C17H29N3O4 — CID 125451368

IUPACtert-butyl (3R)-3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@](O)(Cc2nc(C(C)(C)C)no2)C1
InChIInChI=1S/C17H29N3O4/c1-15(2,3)13-18-12(24-19-13)10-17(22)8-7-9-20(11-17)14(21)23-16(4,5)6/h22H,7-11H2,1-6H3/t17-/m1/s1
InChIKeyBDBOSKFBSOERKZ-QGZVFWFLSA-N
MW339.44 g/mol
LogP2.67
Rot. Bonds2

About tert-butyl (3R)-3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxypiperidine-1-carboxylate

tert-butyl (3R)-3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxypiperidine-1-carboxylate (PubChem CID 125451368) has the molecular formula C17H29N3O4 and a molecular weight of 339.44 g/mol. Its IUPAC name is tert-butyl (3R)-3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxypiperidine-1-carboxylate
PubChem CID125451368
Molecular FormulaC17H29N3O4
Molecular Weight339.44 g/mol
Exact Mass339.22
IUPAC Nametert-butyl (3R)-3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@](O)(Cc2nc(C(C)(C)C)no2)C1
InChIInChI=1S/C17H29N3O4/c1-15(2,3)13-18-12(24-19-13)10-17(22)8-7-9-20(11-17)14(21)23-16(4,5)6/h22H,7-11H2,1-6H3/t17-/m1/s1
InChIKeyBDBOSKFBSOERKZ-QGZVFWFLSA-N
XLogP2.67
TPSA88.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

tert-butyl (3S)-3-hydroxy-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxylate
CID 125452222
tert-butyl (3S)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carboxylate
CID 97172659
tert-butyl (3R)-3-benzyl-3-hydroxypiperidine-1-carboxylate
CID 97114215
tert-butyl 3-but-3-enyl-3-hydroxypiperidine-1-carboxylate
CID 71762891
tert-butyl 3-hydroxy-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 71630502
tert-butyl 4-(aminomethyl)-4-hydroxyazepane-1-carboxylate
CID 56698914
tert-butyl (3R)-3-cyano-3-hydroxypiperidine-1-carboxylate
CID 98060953
tert-butyl 1-methyl-1,9-diazaspiro[4.5]decane-9-carboxylate
CID 90236843
tert-butyl 3-(aminooxymethyl)-3-hydroxypyrrolidine-1-carboxylate
CID 105490874
tert-butyl 3-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]pyrrolidine-1-carboxylate
CID 83207230
tert-butyl 3-ethenyl-3-methylpiperidine-1-carboxylate
CID 123836479
tert-butyl 3-[(2-carbamoylmorpholin-4-yl)methyl]-3-hydroxypiperidine-1-carboxylate
CID 126819677

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxypiperidine-1-carboxylate (CID 125451368) is tert-butyl (3R)-3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@](O)(Cc2nc(C(C)(C)C)no2)C1.
What is the InChIKey of tert-butyl (3R)-3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxypiperidine-1-carboxylate?
The InChIKey is BDBOSKFBSOERKZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H29N3O4/c1-15(2,3)13-18-12(24-19-13)10-17(22)8-7-9-20(11-17)14(21)23-16(4,5)6/h22H,7-11H2,1-6H3/t17-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxypiperidine-1-carboxylate?
tert-butyl (3R)-3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxypiperidine-1-carboxylate has a molecular weight of 339.44 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 125451368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).