tert-butyl 1-(oxetan-3-yl)spiro[4H-indazole-5,4'-piperidine]-1'-carboxylate

C19H27N3O3 — CID 58252587

IUPACtert-butyl 1-(oxetan-3-yl)spiro[4H-indazole-5,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(C=Cc3c(cnn3C3COC3)C2)CC1
InChIInChI=1S/C19H27N3O3/c1-18(2,3)25-17(23)21-8-6-19(7-9-21)5-4-16-14(10-19)11-20-22(16)15-12-24-13-15/h4-5,11,15H,6-10,12-13H2,1-3H3
InChIKeyGDFNUGSNINRDSU-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.04
Rot. Bonds1

About tert-butyl 1-(oxetan-3-yl)spiro[4H-indazole-5,4'-piperidine]-1'-carboxylate

tert-butyl 1-(oxetan-3-yl)spiro[4H-indazole-5,4'-piperidine]-1'-carboxylate (PubChem CID 58252587) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is tert-butyl 1-(oxetan-3-yl)spiro[4H-indazole-5,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-(oxetan-3-yl)spiro[4H-indazole-5,4'-piperidine]-1'-carboxylate
PubChem CID58252587
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Nametert-butyl 1-(oxetan-3-yl)spiro[4H-indazole-5,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(C=Cc3c(cnn3C3COC3)C2)CC1
InChIInChI=1S/C19H27N3O3/c1-18(2,3)25-17(23)21-8-6-19(7-9-21)5-4-16-14(10-19)11-20-22(16)15-12-24-13-15/h4-5,11,15H,6-10,12-13H2,1-3H3
InChIKeyGDFNUGSNINRDSU-UHFFFAOYSA-N
XLogP3.04
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Tert-butyl 6-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-2-azaspiro[3.4]oct-6-ene-2-carboxylate
CID 164710548
Tert-butyl 4-[4-fluoro-1-(oxetan-3-yl)pyrazol-5-yl]piperidine-1-carboxylate
CID 178181975
Tert-butyl 3,3-difluoro-4-[4-methyl-1-(oxetan-3-yl)pyrazol-5-yl]piperidine-1-carboxylate
CID 178548652
tert-butyl (2R)-4-[1-(3-fluorocyclobutyl)-4-methylpyrazol-5-yl]-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 178548844
Tert-butyl 1-isopropyl-1,4-dihydrospiro[indazole-5,4'-piperidine]-1'-carboxylate
CID 57337073
1-(1-Tert-butoxycarbonylpiperidin-4-yl)-3-phenylpyrazole
CID 57952043
tert-butyl 1-(1,3-dihydroxypropan-2-yl)spiro[4H-indazole-5,4'-piperidine]-1'-carboxylate
CID 58252529
tert-butyl 1-(2-ethoxy-2-oxoethyl)spiro[4H-indazole-5,4'-piperidine]-1'-carboxylate
CID 58252546
diethyl 2-[1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[4H-indazole-5,4'-piperidine]-1-yl]propanedioate
CID 58252585
tert-butyl 4-[4-ethyl-1-(oxan-2-yl)pyrazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 58486612
ethyl 2-spiro[4H-indazole-5,4'-piperidine]-1-ylacetate
CID 66835072
1-propan-2-ylspiro[4H-indazole-5,4'-piperidine]-1'-carboxylic acid
CID 66835528

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-(oxetan-3-yl)spiro[4H-indazole-5,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl 1-(oxetan-3-yl)spiro[4H-indazole-5,4'-piperidine]-1'-carboxylate (CID 58252587) is tert-butyl 1-(oxetan-3-yl)spiro[4H-indazole-5,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 1-(oxetan-3-yl)spiro[4H-indazole-5,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 1-(oxetan-3-yl)spiro[4H-indazole-5,4'-piperidine]-1'-carboxylate is CC(C)(C)OC(=O)N1CCC2(C=Cc3c(cnn3C3COC3)C2)CC1.
What is the InChIKey of tert-butyl 1-(oxetan-3-yl)spiro[4H-indazole-5,4'-piperidine]-1'-carboxylate?
The InChIKey is GDFNUGSNINRDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-18(2,3)25-17(23)21-8-6-19(7-9-21)5-4-16-14(10-19)11-20-22(16)15-12-24-13-15/h4-5,11,15H,6-10,12-13H2,1-3H3.
What are the key properties of tert-butyl 1-(oxetan-3-yl)spiro[4H-indazole-5,4'-piperidine]-1'-carboxylate?
tert-butyl 1-(oxetan-3-yl)spiro[4H-indazole-5,4'-piperidine]-1'-carboxylate has a molecular weight of 345.44 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-(oxetan-3-yl)spiro[4H-indazole-5,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 58252587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).