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

C14H18BrN3O2 — CID 118604476

IUPAC6-bromo-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
SMILESCCN1CCC2(CC1)NC(=O)c1c(C)cc(Br)c(=O)n12
InChIInChI=1S/C14H18BrN3O2/c1-3-17-6-4-14(5-7-17)16-12(19)11-9(2)8-10(15)13(20)18(11)14/h8H,3-7H2,1-2H3,(H,16,19)
InChIKeySEVLLEDDSONMOV-UHFFFAOYSA-N
MW340.22 g/mol
LogP1.43
Rot. Bonds1

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

6-bromo-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione (PubChem CID 118604476) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is 6-bromo-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione.

Molecular Properties

Compound Name6-bromo-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
PubChem CID118604476
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Name6-bromo-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
SMILESCCN1CCC2(CC1)NC(=O)c1c(C)cc(Br)c(=O)n12
InChIInChI=1S/C14H18BrN3O2/c1-3-17-6-4-14(5-7-17)16-12(19)11-9(2)8-10(15)13(20)18(11)14/h8H,3-7H2,1-2H3,(H,16,19)
InChIKeySEVLLEDDSONMOV-UHFFFAOYSA-N
XLogP1.43
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
The IUPAC name of 6-bromo-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione (CID 118604476) is 6-bromo-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione.
What is the SMILES notation for 6-bromo-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
The canonical SMILES for 6-bromo-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione is CCN1CCC2(CC1)NC(=O)c1c(C)cc(Br)c(=O)n12.
What is the InChIKey of 6-bromo-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
The InChIKey is SEVLLEDDSONMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c1-3-17-6-4-14(5-7-17)16-12(19)11-9(2)8-10(15)13(20)18(11)14/h8H,3-7H2,1-2H3,(H,16,19).
What are the key properties of 6-bromo-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione?
6-bromo-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione has a molecular weight of 340.22 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1'-ethyl-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione is sourced from PubChem (CID 118604476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).