tert-butyl 4-(7-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)piperidine-1-carboxylate

C18H28N4O3 — CID 23084022

IUPACtert-butyl 4-(7-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)piperidine-1-carboxylate
SMILESCC(=O)N1CCn2c(C3CCN(C(=O)OC(C)(C)C)CC3)cnc2C1
InChIInChI=1S/C18H28N4O3/c1-13(23)21-9-10-22-15(11-19-16(22)12-21)14-5-7-20(8-6-14)17(24)25-18(2,3)4/h11,14H,5-10,12H2,1-4H3
InChIKeyZLVYBUYFDYXIFJ-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.36
Rot. Bonds1

About tert-butyl 4-(7-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)piperidine-1-carboxylate

tert-butyl 4-(7-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)piperidine-1-carboxylate (PubChem CID 23084022) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is tert-butyl 4-(7-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(7-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)piperidine-1-carboxylate
PubChem CID23084022
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Nametert-butyl 4-(7-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)piperidine-1-carboxylate
SMILESCC(=O)N1CCn2c(C3CCN(C(=O)OC(C)(C)C)CC3)cnc2C1
InChIInChI=1S/C18H28N4O3/c1-13(23)21-9-10-22-15(11-19-16(22)12-21)14-5-7-20(8-6-14)17(24)25-18(2,3)4/h11,14H,5-10,12H2,1-4H3
InChIKeyZLVYBUYFDYXIFJ-UHFFFAOYSA-N
XLogP2.36
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(7-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(7-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)piperidine-1-carboxylate (CID 23084022) is tert-butyl 4-(7-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(7-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(7-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)piperidine-1-carboxylate is CC(=O)N1CCn2c(C3CCN(C(=O)OC(C)(C)C)CC3)cnc2C1.
What is the InChIKey of tert-butyl 4-(7-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)piperidine-1-carboxylate?
The InChIKey is ZLVYBUYFDYXIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-13(23)21-9-10-22-15(11-19-16(22)12-21)14-5-7-20(8-6-14)17(24)25-18(2,3)4/h11,14H,5-10,12H2,1-4H3.
What are the key properties of tert-butyl 4-(7-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)piperidine-1-carboxylate?
tert-butyl 4-(7-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)piperidine-1-carboxylate has a molecular weight of 348.45 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(7-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 23084022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).