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

C19H27N3O4 — CID 56949929

IUPACtert-butyl 2-cyclobutyl-7-oxospiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1nn(C3CCC3)cc1O2
InChIInChI=1S/C19H27N3O4/c1-18(2,3)26-17(24)21-9-7-19(8-10-21)11-14(23)16-15(25-19)12-22(20-16)13-5-4-6-13/h12-13H,4-11H2,1-3H3
InChIKeyBGHYJMLBVNPFKM-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.34
Rot. Bonds1

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

tert-butyl 2-cyclobutyl-7-oxospiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-carboxylate (PubChem CID 56949929) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is tert-butyl 2-cyclobutyl-7-oxospiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-cyclobutyl-7-oxospiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-carboxylate
PubChem CID56949929
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Nametert-butyl 2-cyclobutyl-7-oxospiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1nn(C3CCC3)cc1O2
InChIInChI=1S/C19H27N3O4/c1-18(2,3)26-17(24)21-9-7-19(8-10-21)11-14(23)16-15(25-19)12-22(20-16)13-5-4-6-13/h12-13H,4-11H2,1-3H3
InChIKeyBGHYJMLBVNPFKM-UHFFFAOYSA-N
XLogP3.34
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-cyclobutyl-7-oxospiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl 2-cyclobutyl-7-oxospiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-carboxylate (CID 56949929) is tert-butyl 2-cyclobutyl-7-oxospiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 2-cyclobutyl-7-oxospiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 2-cyclobutyl-7-oxospiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1nn(C3CCC3)cc1O2.
What is the InChIKey of tert-butyl 2-cyclobutyl-7-oxospiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-carboxylate?
The InChIKey is BGHYJMLBVNPFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-18(2,3)26-17(24)21-9-7-19(8-10-21)11-14(23)16-15(25-19)12-22(20-16)13-5-4-6-13/h12-13H,4-11H2,1-3H3.
What are the key properties of tert-butyl 2-cyclobutyl-7-oxospiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-carboxylate?
tert-butyl 2-cyclobutyl-7-oxospiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-carboxylate has a molecular weight of 361.44 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-cyclobutyl-7-oxospiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 56949929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).