6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione

C12H14BrN3O2 — CID 118598885

IUPAC6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
SMILESCc1cc(Br)c(=O)n2c1C(=O)NC21CCNCC1
InChIInChI=1S/C12H14BrN3O2/c1-7-6-8(13)11(18)16-9(7)10(17)15-12(16)2-4-14-5-3-12/h6,14H,2-5H2,1H3,(H,15,17)
InChIKeyKMPJGVGOIXQZRS-UHFFFAOYSA-N
MW312.17 g/mol
LogP0.70
Rot. Bonds

About 6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione

6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione (PubChem CID 118598885) has the molecular formula C12H14BrN3O2 and a molecular weight of 312.17 g/mol. Its IUPAC name is 6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione.

Molecular Properties

Compound Name6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
PubChem CID118598885
Molecular FormulaC12H14BrN3O2
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC Name6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
SMILESCc1cc(Br)c(=O)n2c1C(=O)NC21CCNCC1
InChIInChI=1S/C12H14BrN3O2/c1-7-6-8(13)11(18)16-9(7)10(17)15-12(16)2-4-14-5-3-12/h6,14H,2-5H2,1H3,(H,15,17)
InChIKeyKMPJGVGOIXQZRS-UHFFFAOYSA-N
XLogP0.70
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
The IUPAC name of 6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione (CID 118598885) is 6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione.
What is the SMILES notation for 6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
The canonical SMILES for 6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione is Cc1cc(Br)c(=O)n2c1C(=O)NC21CCNCC1.
What is the InChIKey of 6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
The InChIKey is KMPJGVGOIXQZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2/c1-7-6-8(13)11(18)16-9(7)10(17)15-12(16)2-4-14-5-3-12/h6,14H,2-5H2,1H3,(H,15,17).
What are the key properties of 6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione has a molecular weight of 312.17 g/mol, XLogP of 0.70, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione is sourced from PubChem (CID 118598885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).