tert-butyl 4-imidazo[1,2-a]pyridin-2-yl-3-oxopiperazine-1-carboxylate

C16H20N4O3 — CID 162624837

IUPACtert-butyl 4-imidazo[1,2-a]pyridin-2-yl-3-oxopiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2cn3ccccc3n2)C(=O)C1
InChIInChI=1S/C16H20N4O3/c1-16(2,3)23-15(22)19-8-9-20(14(21)11-19)13-10-18-7-5-4-6-12(18)17-13/h4-7,10H,8-9,11H2,1-3H3
InChIKeyJKQCIEPPIMEJEP-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.92
Rot. Bonds1

About tert-butyl 4-imidazo[1,2-a]pyridin-2-yl-3-oxopiperazine-1-carboxylate

tert-butyl 4-imidazo[1,2-a]pyridin-2-yl-3-oxopiperazine-1-carboxylate (PubChem CID 162624837) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is tert-butyl 4-imidazo[1,2-a]pyridin-2-yl-3-oxopiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-imidazo[1,2-a]pyridin-2-yl-3-oxopiperazine-1-carboxylate
PubChem CID162624837
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Nametert-butyl 4-imidazo[1,2-a]pyridin-2-yl-3-oxopiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2cn3ccccc3n2)C(=O)C1
InChIInChI=1S/C16H20N4O3/c1-16(2,3)23-15(22)19-8-9-20(14(21)11-19)13-10-18-7-5-4-6-12(18)17-13/h4-7,10H,8-9,11H2,1-3H3
InChIKeyJKQCIEPPIMEJEP-UHFFFAOYSA-N
XLogP1.92
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-imidazo[1,2-a]pyridin-2-ylpiperidine-1-carboxylate
CID 168797696
tert-butyl 4-(2-chlorophenyl)-3-oxopiperazine-1-carboxylate
CID 67112342
tert-butyl 3-oxo-4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 171482295
4-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-1-(4-methylphenyl)piperazin-2-one
CID 70748846
tert-butyl 4-(3-tert-butylphenyl)-3-oxopiperazine-1-carboxylate
CID 11688552
tert-butyl 3-[[(2R)-4-imidazo[1,2-a]pyridin-2-yl-3-oxopiperazin-2-yl]methyl]indole-1-carboxylate
CID 171550636
tert-butyl 4-(4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,4-diazepane-1-carboxylate
CID 171130199
tert-butyl 4-(7-hydroxynaphthalen-1-yl)-3-oxopiperazine-1-carboxylate
CID 18009110
tert-butyl 2-(2-oxo-4-phenylmethoxycarbonylpiperazin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate
CID 171550434
tert-butyl 4-dibenzofuran-3-yl-3-oxopiperazine-1-carboxylate
CID 175785787
tert-butyl 4-[2-[2-(hydroxymethyl)phenoxy]phenyl]-3-oxopiperazine-1-carboxylate
CID 18691017
tert-butyl 4-(1,3-benzothiazol-2-ylsulfonyl)-3-oxopiperazine-1-carboxylate
CID 178038503

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-imidazo[1,2-a]pyridin-2-yl-3-oxopiperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-imidazo[1,2-a]pyridin-2-yl-3-oxopiperazine-1-carboxylate (CID 162624837) is tert-butyl 4-imidazo[1,2-a]pyridin-2-yl-3-oxopiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-imidazo[1,2-a]pyridin-2-yl-3-oxopiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-imidazo[1,2-a]pyridin-2-yl-3-oxopiperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2cn3ccccc3n2)C(=O)C1.
What is the InChIKey of tert-butyl 4-imidazo[1,2-a]pyridin-2-yl-3-oxopiperazine-1-carboxylate?
The InChIKey is JKQCIEPPIMEJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-16(2,3)23-15(22)19-8-9-20(14(21)11-19)13-10-18-7-5-4-6-12(18)17-13/h4-7,10H,8-9,11H2,1-3H3.
What are the key properties of tert-butyl 4-imidazo[1,2-a]pyridin-2-yl-3-oxopiperazine-1-carboxylate?
tert-butyl 4-imidazo[1,2-a]pyridin-2-yl-3-oxopiperazine-1-carboxylate has a molecular weight of 316.36 g/mol, XLogP of 1.92, 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]pyridin-2-yl-3-oxopiperazine-1-carboxylate is sourced from PubChem (CID 162624837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).