tert-butyl 4-imidazo[1,2-a]pyrazin-3-ylpiperidine-1-carboxylate

C16H22N4O2 — CID 23084274

IUPACtert-butyl 4-imidazo[1,2-a]pyrazin-3-ylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cnc3cnccn23)CC1
InChIInChI=1S/C16H22N4O2/c1-16(2,3)22-15(21)19-7-4-12(5-8-19)13-10-18-14-11-17-6-9-20(13)14/h6,9-12H,4-5,7-8H2,1-3H3
InChIKeyREKXDTYOCFZURK-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.84
Rot. Bonds1

About tert-butyl 4-imidazo[1,2-a]pyrazin-3-ylpiperidine-1-carboxylate

tert-butyl 4-imidazo[1,2-a]pyrazin-3-ylpiperidine-1-carboxylate (PubChem CID 23084274) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is tert-butyl 4-imidazo[1,2-a]pyrazin-3-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-imidazo[1,2-a]pyrazin-3-ylpiperidine-1-carboxylate
PubChem CID23084274
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Nametert-butyl 4-imidazo[1,2-a]pyrazin-3-ylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cnc3cnccn23)CC1
InChIInChI=1S/C16H22N4O2/c1-16(2,3)22-15(21)19-7-4-12(5-8-19)13-10-18-14-11-17-6-9-20(13)14/h6,9-12H,4-5,7-8H2,1-3H3
InChIKeyREKXDTYOCFZURK-UHFFFAOYSA-N
XLogP2.84
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[3-(2-Ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone
CID 95810958
1-[4-[6-(2-Ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone
CID 95815633
1-[4-[(5-Imidazol-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 95825000
1-[3-[(5-Imidazol-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 110257309
Tert-butyl 3-imidazo[1,2-a]pyrimidin-2-ylpiperidine-1-carboxylate
CID 155565018
tert-butyl N-[[(2R)-1-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate
CID 97160520
tert-butyl 4-(1-(2-(pyrrolidin-1-yl)ethyl)-4-(3,3,3-trifluoropropyl)-1H-imidazol-2-yl)piperidine-1-carboxylate
CID 67112062
Tert-butyl 4-[2-(difluoromethyl)imidazo[1,2-a]pyrazin-6-yl]piperazine-1-carboxylate
CID 168156063
Tert-butyl 4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]piperazine-1-carboxylate
CID 168156131
Tert-butyl 4-[3-(2-fluoroethyl)imidazo[1,2-a]pyrazin-8-yl]piperazine-1-carboxylate
CID 10020726
Ethyl 4-(3-bromo-8-chloroimidazo[1,2-a]pyrazin-6-yl)piperidine-1-carboxylate
CID 11200056
Ethyl 3-(3-bromo-8-chloroimidazo[1,2-a]pyrazin-6-yl)piperidine-1-carboxylate
CID 11406581

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-imidazo[1,2-a]pyrazin-3-ylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-imidazo[1,2-a]pyrazin-3-ylpiperidine-1-carboxylate (CID 23084274) is tert-butyl 4-imidazo[1,2-a]pyrazin-3-ylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-imidazo[1,2-a]pyrazin-3-ylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-imidazo[1,2-a]pyrazin-3-ylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2cnc3cnccn23)CC1.
What is the InChIKey of tert-butyl 4-imidazo[1,2-a]pyrazin-3-ylpiperidine-1-carboxylate?
The InChIKey is REKXDTYOCFZURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-16(2,3)22-15(21)19-7-4-12(5-8-19)13-10-18-14-11-17-6-9-20(13)14/h6,9-12H,4-5,7-8H2,1-3H3.
What are the key properties of tert-butyl 4-imidazo[1,2-a]pyrazin-3-ylpiperidine-1-carboxylate?
tert-butyl 4-imidazo[1,2-a]pyrazin-3-ylpiperidine-1-carboxylate has a molecular weight of 302.38 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-imidazo[1,2-a]pyrazin-3-ylpiperidine-1-carboxylate is sourced from PubChem (CID 23084274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).