tert-butyl (2S)-2-[(8-methylimidazo[1,2-a]pyrazin-2-yl)methyl]piperidine-1-carboxylate

C18H26N4O2 — CID 58525286

IUPACtert-butyl (2S)-2-[(8-methylimidazo[1,2-a]pyrazin-2-yl)methyl]piperidine-1-carboxylate
SMILESCc1nccn2cc(C[C@@H]3CCCCN3C(=O)OC(C)(C)C)nc12
InChIInChI=1S/C18H26N4O2/c1-13-16-20-14(12-21(16)10-8-19-13)11-15-7-5-6-9-22(15)17(23)24-18(2,3)4/h8,10,12,15H,5-7,9,11H2,1-4H3/t15-/m0/s1
InChIKeyMJWVHOIKURUNEP-HNNXBMFYSA-N
MW330.43 g/mol
LogP3.37
Rot. Bonds2

About tert-butyl (2S)-2-[(8-methylimidazo[1,2-a]pyrazin-2-yl)methyl]piperidine-1-carboxylate

tert-butyl (2S)-2-[(8-methylimidazo[1,2-a]pyrazin-2-yl)methyl]piperidine-1-carboxylate (PubChem CID 58525286) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(8-methylimidazo[1,2-a]pyrazin-2-yl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(8-methylimidazo[1,2-a]pyrazin-2-yl)methyl]piperidine-1-carboxylate
PubChem CID58525286
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Nametert-butyl (2S)-2-[(8-methylimidazo[1,2-a]pyrazin-2-yl)methyl]piperidine-1-carboxylate
SMILESCc1nccn2cc(C[C@@H]3CCCCN3C(=O)OC(C)(C)C)nc12
InChIInChI=1S/C18H26N4O2/c1-13-16-20-14(12-21(16)10-8-19-13)11-15-7-5-6-9-22(15)17(23)24-18(2,3)4/h8,10,12,15H,5-7,9,11H2,1-4H3/t15-/m0/s1
InChIKeyMJWVHOIKURUNEP-HNNXBMFYSA-N
XLogP3.37
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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 (2S)-2-[(8-fluoro-3-methylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidine-1-carboxylate
CID 67284356
tert-butyl (2S)-2-[(8-fluoro-3-iodoimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidine-1-carboxylate
CID 67286677
Tert-butyl 4-[2-(difluoromethyl)imidazo[1,2-a]pyrazin-6-yl]piperazine-1-carboxylate
CID 168156063
tert-butyl (2R,4R)-2-(6-bromoimidazo[1,2-a]pyrazin-2-yl)-4-fluoropyrrolidine-1-carboxylate
CID 171813901
tert-butyl (2R,4S)-2-(6-bromoimidazo[1,2-a]pyrazin-2-yl)-4-fluoropyrrolidine-1-carboxylate
CID 171813965
Tert-butyl 4-(7-propylimidazo[1,2-c]pyrimidin-3-yl)piperazine-1-carboxylate
CID 176509576
Tert-butyl 4-[3-(2-fluoroethyl)imidazo[1,2-a]pyrazin-8-yl]piperazine-1-carboxylate
CID 10020726
Ethyl 3-(8-chloroimidazo[1,2-a]pyrazin-6-yl)piperidine-1-carboxylate
CID 20814355
Ethyl 4-(8-chloroimidazo[1,2-a]pyrazin-6-yl)piperidine-1-carboxylate
CID 20814359
Tert-butyl 4-(7-acetyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)piperidine-1-carboxylate
CID 23084022

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(8-methylimidazo[1,2-a]pyrazin-2-yl)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[(8-methylimidazo[1,2-a]pyrazin-2-yl)methyl]piperidine-1-carboxylate (CID 58525286) is tert-butyl (2S)-2-[(8-methylimidazo[1,2-a]pyrazin-2-yl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[(8-methylimidazo[1,2-a]pyrazin-2-yl)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[(8-methylimidazo[1,2-a]pyrazin-2-yl)methyl]piperidine-1-carboxylate is Cc1nccn2cc(C[C@@H]3CCCCN3C(=O)OC(C)(C)C)nc12.
What is the InChIKey of tert-butyl (2S)-2-[(8-methylimidazo[1,2-a]pyrazin-2-yl)methyl]piperidine-1-carboxylate?
The InChIKey is MJWVHOIKURUNEP-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-13-16-20-14(12-21(16)10-8-19-13)11-15-7-5-6-9-22(15)17(23)24-18(2,3)4/h8,10,12,15H,5-7,9,11H2,1-4H3/t15-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[(8-methylimidazo[1,2-a]pyrazin-2-yl)methyl]piperidine-1-carboxylate?
tert-butyl (2S)-2-[(8-methylimidazo[1,2-a]pyrazin-2-yl)methyl]piperidine-1-carboxylate has a molecular weight of 330.43 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[(8-methylimidazo[1,2-a]pyrazin-2-yl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 58525286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).