tert-butyl 2-tert-butyl-7-oxospiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-carboxylate

C19H29N3O4 — CID 66843844

IUPACtert-butyl 2-tert-butyl-7-oxospiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1nn(C(C)(C)C)cc1O2
InChIInChI=1S/C19H29N3O4/c1-17(2,3)22-12-14-15(20-22)13(23)11-19(25-14)7-9-21(10-8-19)16(24)26-18(4,5)6/h12H,7-11H2,1-6H3
InChIKeySTYHVZAIQGWLLX-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.37
Rot. Bonds

About tert-butyl 2-tert-butyl-7-oxospiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-carboxylate

tert-butyl 2-tert-butyl-7-oxospiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-carboxylate (PubChem CID 66843844) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is tert-butyl 2-tert-butyl-7-oxospiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-tert-butyl-7-oxospiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-carboxylate
PubChem CID66843844
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Nametert-butyl 2-tert-butyl-7-oxospiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1nn(C(C)(C)C)cc1O2
InChIInChI=1S/C19H29N3O4/c1-17(2,3)22-12-14-15(20-22)13(23)11-19(25-14)7-9-21(10-8-19)16(24)26-18(4,5)6/h12H,7-11H2,1-6H3
InChIKeySTYHVZAIQGWLLX-UHFFFAOYSA-N
XLogP3.37
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-tert-butyl-7-oxospiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl 2-tert-butyl-7-oxospiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-carboxylate (CID 66843844) is tert-butyl 2-tert-butyl-7-oxospiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 2-tert-butyl-7-oxospiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 2-tert-butyl-7-oxospiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1nn(C(C)(C)C)cc1O2.
What is the InChIKey of tert-butyl 2-tert-butyl-7-oxospiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-carboxylate?
The InChIKey is STYHVZAIQGWLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-17(2,3)22-12-14-15(20-22)13(23)11-19(25-14)7-9-21(10-8-19)16(24)26-18(4,5)6/h12H,7-11H2,1-6H3.
What are the key properties of tert-butyl 2-tert-butyl-7-oxospiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-carboxylate?
tert-butyl 2-tert-butyl-7-oxospiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-carboxylate has a molecular weight of 363.46 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-tert-butyl-7-oxospiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 66843844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).