tert-butyl 3-(1-bromoimidazo[1,5-a]pyridin-3-yl)piperidine-1-carboxylate

C17H22BrN3O2 — CID 171544233

IUPACtert-butyl 3-(1-bromoimidazo[1,5-a]pyridin-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(c2nc(Br)c3ccccn23)C1
InChIInChI=1S/C17H22BrN3O2/c1-17(2,3)23-16(22)20-9-6-7-12(11-20)15-19-14(18)13-8-4-5-10-21(13)15/h4-5,8,10,12H,6-7,9,11H2,1-3H3
InChIKeyBNZTZBMWVIRPFJ-UHFFFAOYSA-N
MW380.29 g/mol
LogP4.21
Rot. Bonds1

About tert-butyl 3-(1-bromoimidazo[1,5-a]pyridin-3-yl)piperidine-1-carboxylate

tert-butyl 3-(1-bromoimidazo[1,5-a]pyridin-3-yl)piperidine-1-carboxylate (PubChem CID 171544233) has the molecular formula C17H22BrN3O2 and a molecular weight of 380.29 g/mol. Its IUPAC name is tert-butyl 3-(1-bromoimidazo[1,5-a]pyridin-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1-bromoimidazo[1,5-a]pyridin-3-yl)piperidine-1-carboxylate
PubChem CID171544233
Molecular FormulaC17H22BrN3O2
Molecular Weight380.29 g/mol
Exact Mass379.09
IUPAC Nametert-butyl 3-(1-bromoimidazo[1,5-a]pyridin-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(c2nc(Br)c3ccccn23)C1
InChIInChI=1S/C17H22BrN3O2/c1-17(2,3)23-16(22)20-9-6-7-12(11-20)15-19-14(18)13-8-4-5-10-21(13)15/h4-5,8,10,12H,6-7,9,11H2,1-3H3
InChIKeyBNZTZBMWVIRPFJ-UHFFFAOYSA-N
XLogP4.21
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.29
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1-bromoimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 84604743
tert-butyl 3-phenylpiperidine-1-carboxylate
CID 57440165
tert-butyl (3R)-3-(1-methylindol-2-yl)piperidine-1-carboxylate
CID 97181730
tert-butyl 5-(3-cyclononylimidazo[1,5-a]pyridin-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 171543664
tert-butyl 3-(3-bromoindazol-1-yl)piperidine-1-carboxylate;ethane
CID 171544267
tert-butyl (3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate
CID 124508791
tert-butyl 3-pyridin-4-ylpiperidine-1-carboxylate
CID 164734560
tert-butyl 3-(6-aminopyridazin-3-yl)piperidine-1-carboxylate
CID 172992144
tert-butyl 4-(3-bromoindazol-1-yl)azepane-1-carboxylate
CID 178042915
tert-butyl 3-(4-bromo-2,3,5,6-tetradeuteriophenyl)piperidine-1-carboxylate
CID 162467774
tert-butyl (3S)-3-(2-bromophenoxy)piperidine-1-carboxylate
CID 69433067
tert-butyl 3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxylate
CID 75443723

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1-bromoimidazo[1,5-a]pyridin-3-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(1-bromoimidazo[1,5-a]pyridin-3-yl)piperidine-1-carboxylate (CID 171544233) is tert-butyl 3-(1-bromoimidazo[1,5-a]pyridin-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(1-bromoimidazo[1,5-a]pyridin-3-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(1-bromoimidazo[1,5-a]pyridin-3-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(c2nc(Br)c3ccccn23)C1.
What is the InChIKey of tert-butyl 3-(1-bromoimidazo[1,5-a]pyridin-3-yl)piperidine-1-carboxylate?
The InChIKey is BNZTZBMWVIRPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3O2/c1-17(2,3)23-16(22)20-9-6-7-12(11-20)15-19-14(18)13-8-4-5-10-21(13)15/h4-5,8,10,12H,6-7,9,11H2,1-3H3.
What are the key properties of tert-butyl 3-(1-bromoimidazo[1,5-a]pyridin-3-yl)piperidine-1-carboxylate?
tert-butyl 3-(1-bromoimidazo[1,5-a]pyridin-3-yl)piperidine-1-carboxylate has a molecular weight of 380.29 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-bromoimidazo[1,5-a]pyridin-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 171544233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).