tert-butyl (2S)-2-[(3,8-dimethylimidazo[1,2-a]pyrazin-2-yl)methyl]piperidine-1-carboxylate

C19H28N4O2 — CID 58525288

IUPACtert-butyl (2S)-2-[(3,8-dimethylimidazo[1,2-a]pyrazin-2-yl)methyl]piperidine-1-carboxylate
SMILESCc1nccn2c(C)c(C[C@@H]3CCCCN3C(=O)OC(C)(C)C)nc12
InChIInChI=1S/C19H28N4O2/c1-13-17-21-16(14(2)22(17)11-9-20-13)12-15-8-6-7-10-23(15)18(24)25-19(3,4)5/h9,11,15H,6-8,10,12H2,1-5H3/t15-/m0/s1
InChIKeyGZJJNZJYCRFRGW-HNNXBMFYSA-N
MW344.46 g/mol
LogP3.68
Rot. Bonds2

About tert-butyl (2S)-2-[(3,8-dimethylimidazo[1,2-a]pyrazin-2-yl)methyl]piperidine-1-carboxylate

tert-butyl (2S)-2-[(3,8-dimethylimidazo[1,2-a]pyrazin-2-yl)methyl]piperidine-1-carboxylate (PubChem CID 58525288) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(3,8-dimethylimidazo[1,2-a]pyrazin-2-yl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(3,8-dimethylimidazo[1,2-a]pyrazin-2-yl)methyl]piperidine-1-carboxylate
PubChem CID58525288
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Nametert-butyl (2S)-2-[(3,8-dimethylimidazo[1,2-a]pyrazin-2-yl)methyl]piperidine-1-carboxylate
SMILESCc1nccn2c(C)c(C[C@@H]3CCCCN3C(=O)OC(C)(C)C)nc12
InChIInChI=1S/C19H28N4O2/c1-13-17-21-16(14(2)22(17)11-9-20-13)12-15-8-6-7-10-23(15)18(24)25-19(3,4)5/h9,11,15H,6-8,10,12H2,1-5H3/t15-/m0/s1
InChIKeyGZJJNZJYCRFRGW-HNNXBMFYSA-N
XLogP3.68
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(3,8-dimethylimidazo[1,2-a]pyrazin-2-yl)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[(3,8-dimethylimidazo[1,2-a]pyrazin-2-yl)methyl]piperidine-1-carboxylate (CID 58525288) is tert-butyl (2S)-2-[(3,8-dimethylimidazo[1,2-a]pyrazin-2-yl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[(3,8-dimethylimidazo[1,2-a]pyrazin-2-yl)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[(3,8-dimethylimidazo[1,2-a]pyrazin-2-yl)methyl]piperidine-1-carboxylate is Cc1nccn2c(C)c(C[C@@H]3CCCCN3C(=O)OC(C)(C)C)nc12.
What is the InChIKey of tert-butyl (2S)-2-[(3,8-dimethylimidazo[1,2-a]pyrazin-2-yl)methyl]piperidine-1-carboxylate?
The InChIKey is GZJJNZJYCRFRGW-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-13-17-21-16(14(2)22(17)11-9-20-13)12-15-8-6-7-10-23(15)18(24)25-19(3,4)5/h9,11,15H,6-8,10,12H2,1-5H3/t15-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[(3,8-dimethylimidazo[1,2-a]pyrazin-2-yl)methyl]piperidine-1-carboxylate?
tert-butyl (2S)-2-[(3,8-dimethylimidazo[1,2-a]pyrazin-2-yl)methyl]piperidine-1-carboxylate has a molecular weight of 344.46 g/mol, XLogP of 3.68, 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-[(3,8-dimethylimidazo[1,2-a]pyrazin-2-yl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 58525288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).