tert-butyl 4-(3-methylimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carboxylate

C16H23N5O2 — CID 10313750

IUPACtert-butyl 4-(3-methylimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carboxylate
SMILESCc1cnc2c(N3CCN(C(=O)OC(C)(C)C)CC3)nccn12
InChIInChI=1S/C16H23N5O2/c1-12-11-18-14-13(17-5-6-21(12)14)19-7-9-20(10-8-19)15(22)23-16(2,3)4/h5-6,11H,7-10H2,1-4H3
InChIKeyIKBUSHHTJHOEIM-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.09
Rot. Bonds1

About tert-butyl 4-(3-methylimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carboxylate

tert-butyl 4-(3-methylimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carboxylate (PubChem CID 10313750) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is tert-butyl 4-(3-methylimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-methylimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carboxylate
PubChem CID10313750
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Nametert-butyl 4-(3-methylimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carboxylate
SMILESCc1cnc2c(N3CCN(C(=O)OC(C)(C)C)CC3)nccn12
InChIInChI=1S/C16H23N5O2/c1-12-11-18-14-13(17-5-6-21(12)14)19-7-9-20(10-8-19)15(22)23-16(2,3)4/h5-6,11H,7-10H2,1-4H3
InChIKeyIKBUSHHTJHOEIM-UHFFFAOYSA-N
XLogP2.09
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-methylimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-methylimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carboxylate (CID 10313750) is tert-butyl 4-(3-methylimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-methylimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-methylimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carboxylate is Cc1cnc2c(N3CCN(C(=O)OC(C)(C)C)CC3)nccn12.
What is the InChIKey of tert-butyl 4-(3-methylimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carboxylate?
The InChIKey is IKBUSHHTJHOEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-12-11-18-14-13(17-5-6-21(12)14)19-7-9-20(10-8-19)15(22)23-16(2,3)4/h5-6,11H,7-10H2,1-4H3.
What are the key properties of tert-butyl 4-(3-methylimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carboxylate?
tert-butyl 4-(3-methylimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carboxylate has a molecular weight of 317.39 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-methylimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carboxylate is sourced from PubChem (CID 10313750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).