tert-butyl 2-oxospiro[1,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-4,4'-piperidine]-1'-carboxylate

C16H25N3O3 — CID 162385109

IUPACtert-butyl 2-oxospiro[1,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-4,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CCCn3[nH]c(=O)cc32)CC1
InChIInChI=1S/C16H25N3O3/c1-15(2,3)22-14(21)18-9-6-16(7-10-18)5-4-8-19-12(16)11-13(20)17-19/h11H,4-10H2,1-3H3,(H,17,20)
InChIKeyOFONKXVEVWTVGX-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.24
Rot. Bonds

About tert-butyl 2-oxospiro[1,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-4,4'-piperidine]-1'-carboxylate

tert-butyl 2-oxospiro[1,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-4,4'-piperidine]-1'-carboxylate (PubChem CID 162385109) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is tert-butyl 2-oxospiro[1,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-4,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-oxospiro[1,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-4,4'-piperidine]-1'-carboxylate
PubChem CID162385109
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Nametert-butyl 2-oxospiro[1,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-4,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CCCn3[nH]c(=O)cc32)CC1
InChIInChI=1S/C16H25N3O3/c1-15(2,3)22-14(21)18-9-6-16(7-10-18)5-4-8-19-12(16)11-13(20)17-19/h11H,4-10H2,1-3H3,(H,17,20)
InChIKeyOFONKXVEVWTVGX-UHFFFAOYSA-N
XLogP2.24
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-oxospiro[1,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-4,4'-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-oxospiro[1,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-4,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl 2-oxospiro[1,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-4,4'-piperidine]-1'-carboxylate (CID 162385109) is tert-butyl 2-oxospiro[1,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-4,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 2-oxospiro[1,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-4,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 2-oxospiro[1,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-4,4'-piperidine]-1'-carboxylate is CC(C)(C)OC(=O)N1CCC2(CCCn3[nH]c(=O)cc32)CC1.
What is the InChIKey of tert-butyl 2-oxospiro[1,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-4,4'-piperidine]-1'-carboxylate?
The InChIKey is OFONKXVEVWTVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-15(2,3)22-14(21)18-9-6-16(7-10-18)5-4-8-19-12(16)11-13(20)17-19/h11H,4-10H2,1-3H3,(H,17,20).
What are the key properties of tert-butyl 2-oxospiro[1,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-4,4'-piperidine]-1'-carboxylate?
tert-butyl 2-oxospiro[1,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-4,4'-piperidine]-1'-carboxylate has a molecular weight of 307.39 g/mol, XLogP of 2.24, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-oxospiro[1,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-4,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 162385109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).