tert-butyl 6-bromo-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-carboxylate

C17H22BrN3O4 — CID 118598598

IUPACtert-butyl 6-bromo-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-carboxylate
SMILESCc1cc(Br)c(=O)n2c1C(=O)NC21CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H22BrN3O4/c1-10-9-11(18)14(23)21-12(10)13(22)19-17(21)5-7-20(8-6-17)15(24)25-16(2,3)4/h9H,5-8H2,1-4H3,(H,19,22)
InChIKeyKSUKTONHSQUXSS-UHFFFAOYSA-N
MW412.28 g/mol
LogP2.35
Rot. Bonds

About tert-butyl 6-bromo-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-carboxylate

tert-butyl 6-bromo-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-carboxylate (PubChem CID 118598598) has the molecular formula C17H22BrN3O4 and a molecular weight of 412.28 g/mol. Its IUPAC name is tert-butyl 6-bromo-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-bromo-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-carboxylate
PubChem CID118598598
Molecular FormulaC17H22BrN3O4
Molecular Weight412.28 g/mol
Exact Mass411.08
IUPAC Nametert-butyl 6-bromo-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-carboxylate
SMILESCc1cc(Br)c(=O)n2c1C(=O)NC21CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H22BrN3O4/c1-10-9-11(18)14(23)21-12(10)13(22)19-17(21)5-7-20(8-6-17)15(24)25-16(2,3)4/h9H,5-8H2,1-4H3,(H,19,22)
InChIKeyKSUKTONHSQUXSS-UHFFFAOYSA-N
XLogP2.35
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-8-methyl-1'-(2,2,2-trifluoroethyl)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 118598638
6-bromo-1'-(2,2-difluoroethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 118598938
tert-butyl 6-bromo-8-chloro-4',4'-difluoro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1'-carboxylate
CID 118604451
tert-butyl 6-bromo-8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-carboxylate
CID 118598783
6-bromo-1',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione
CID 118598841
6-bromo-1',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 118598878
6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 118598885
tert-butyl 6-bromo-8-chloro-1,5-dioxo-spiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1'-carboxylate
CID 118598947
6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;hydrochloride
CID 118599045
2-(6-bromo-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-yl)acetonitrile
CID 118599144
6-bromo-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 118604476
tert-butyl N-(6-bromo-8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-yl)-N-methylcarbamate
CID 122659721

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-bromo-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl 6-bromo-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-carboxylate (CID 118598598) is tert-butyl 6-bromo-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 6-bromo-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 6-bromo-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-carboxylate is Cc1cc(Br)c(=O)n2c1C(=O)NC21CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 6-bromo-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-carboxylate?
The InChIKey is KSUKTONHSQUXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3O4/c1-10-9-11(18)14(23)21-12(10)13(22)19-17(21)5-7-20(8-6-17)15(24)25-16(2,3)4/h9H,5-8H2,1-4H3,(H,19,22).
What are the key properties of tert-butyl 6-bromo-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-carboxylate?
tert-butyl 6-bromo-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-carboxylate has a molecular weight of 412.28 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-bromo-8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 118598598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).