tert-butyl 6-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1'-carboxylate

C16H20ClN3O4 — CID 118598918

IUPACtert-butyl 6-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC2(C1)NC(=O)c1ccc(Cl)c(=O)n12
InChIInChI=1S/C16H20ClN3O4/c1-15(2,3)24-14(23)19-8-4-7-16(9-19)18-12(21)11-6-5-10(17)13(22)20(11)16/h5-6H,4,7-9H2,1-3H3,(H,18,21)
InChIKeyVUMGEDBWOBWUJG-UHFFFAOYSA-N
MW353.81 g/mol
LogP1.93
Rot. Bonds

About tert-butyl 6-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1'-carboxylate

tert-butyl 6-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1'-carboxylate (PubChem CID 118598918) has the molecular formula C16H20ClN3O4 and a molecular weight of 353.81 g/mol. Its IUPAC name is tert-butyl 6-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1'-carboxylate
PubChem CID118598918
Molecular FormulaC16H20ClN3O4
Molecular Weight353.81 g/mol
Exact Mass353.11
IUPAC Nametert-butyl 6-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC2(C1)NC(=O)c1ccc(Cl)c(=O)n12
InChIInChI=1S/C16H20ClN3O4/c1-15(2,3)24-14(23)19-8-4-7-16(9-19)18-12(21)11-6-5-10(17)13(22)20(11)16/h5-6H,4,7-9H2,1-3H3,(H,18,21)
InChIKeyVUMGEDBWOBWUJG-UHFFFAOYSA-N
XLogP1.93
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl 6-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1'-carboxylate (CID 118598918) is tert-butyl 6-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 6-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 6-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1'-carboxylate is CC(C)(C)OC(=O)N1CCCC2(C1)NC(=O)c1ccc(Cl)c(=O)n12.
What is the InChIKey of tert-butyl 6-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1'-carboxylate?
The InChIKey is VUMGEDBWOBWUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O4/c1-15(2,3)24-14(23)19-8-4-7-16(9-19)18-12(21)11-6-5-10(17)13(22)20(11)16/h5-6H,4,7-9H2,1-3H3,(H,18,21).
What are the key properties of tert-butyl 6-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1'-carboxylate?
tert-butyl 6-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1'-carboxylate has a molecular weight of 353.81 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1'-carboxylate is sourced from PubChem (CID 118598918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).