1-O-tert-butyl 3-O-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl] piperidine-1,3-dicarboxylate

C17H27N3O5 — CID 55539435

IUPAC1-O-tert-butyl 3-O-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl] piperidine-1,3-dicarboxylate
SMILESCC(C)c1noc(COC(=O)C2CCCN(C(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C17H27N3O5/c1-11(2)14-18-13(25-19-14)10-23-15(21)12-7-6-8-20(9-12)16(22)24-17(3,4)5/h11-12H,6-10H2,1-5H3
InChIKeyWRXOUNABKOJXAM-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.88
Rot. Bonds4

About 1-O-tert-butyl 3-O-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl] piperidine-1,3-dicarboxylate

1-O-tert-butyl 3-O-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl] piperidine-1,3-dicarboxylate (PubChem CID 55539435) has the molecular formula C17H27N3O5 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-O-tert-butyl 3-O-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl] piperidine-1,3-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 3-O-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl] piperidine-1,3-dicarboxylate
PubChem CID55539435
Molecular FormulaC17H27N3O5
Molecular Weight353.42 g/mol
Exact Mass353.20
IUPAC Name1-O-tert-butyl 3-O-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl] piperidine-1,3-dicarboxylate
SMILESCC(C)c1noc(COC(=O)C2CCCN(C(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C17H27N3O5/c1-11(2)14-18-13(25-19-14)10-23-15(21)12-7-6-8-20(9-12)16(22)24-17(3,4)5/h11-12H,6-10H2,1-5H3
InChIKeyWRXOUNABKOJXAM-UHFFFAOYSA-N
XLogP2.88
TPSA94.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-O-tert-butyl 3-O-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl] piperidine-1,3-dicarboxylate with MolForge

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Related Compounds

1-O-tert-butyl 3-O-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl] (3S)-piperidine-1,3-dicarboxylate
CID 33083338
1-O-tert-butyl 3-O-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl] piperidine-1,3-dicarboxylate
CID 55444505
tert-butyl 4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepane-1-carboxylate
CID 171130204
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
CID 46528740
tert-butyl (3R,4R)-4-amino-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate
CID 129494256
1-O-tert-butyl 3-O-[2-(methylamino)-2-oxoethyl] piperidine-1,3-dicarboxylate
CID 47013868
tert-butyl 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxylate
CID 90641592
1-O-tert-butyl 3-O-[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] piperidine-1,3-dicarboxylate
CID 55443009
tert-butyl 3-(2-aminoacetyl)piperidine-1-carboxylate
CID 82386816
tert-butyl 4-[N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]carbamimidoyl]piperazine-1-carboxylate
CID 111080307
[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55534165
1-O-tert-butyl 4-O-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl] piperidine-1,4-dicarboxylate
CID 8924701

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 3-O-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl] piperidine-1,3-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 3-O-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl] piperidine-1,3-dicarboxylate (CID 55539435) is 1-O-tert-butyl 3-O-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl] piperidine-1,3-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 3-O-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl] piperidine-1,3-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 3-O-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl] piperidine-1,3-dicarboxylate is CC(C)c1noc(COC(=O)C2CCCN(C(=O)OC(C)(C)C)C2)n1.
What is the InChIKey of 1-O-tert-butyl 3-O-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl] piperidine-1,3-dicarboxylate?
The InChIKey is WRXOUNABKOJXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O5/c1-11(2)14-18-13(25-19-14)10-23-15(21)12-7-6-8-20(9-12)16(22)24-17(3,4)5/h11-12H,6-10H2,1-5H3.
What are the key properties of 1-O-tert-butyl 3-O-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl] piperidine-1,3-dicarboxylate?
1-O-tert-butyl 3-O-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl] piperidine-1,3-dicarboxylate has a molecular weight of 353.42 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 3-O-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl] piperidine-1,3-dicarboxylate is sourced from PubChem (CID 55539435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).