1-[(2-tert-butyl-8-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate

C19H27N3O2 — CID 39146550

IUPAC1-[(2-tert-butyl-8-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate
SMILESCc1cccn2c(C[NH+]3CCC(C(=O)[O-])CC3)c(C(C)(C)C)nc12
InChIInChI=1S/C19H27N3O2/c1-13-6-5-9-22-15(16(19(2,3)4)20-17(13)22)12-21-10-7-14(8-11-21)18(23)24/h5-6,9,14H,7-8,10-12H2,1-4H3,(H,23,24)
InChIKeyZVBHMYOSNJEHMZ-UHFFFAOYSA-N
MW329.44 g/mol
LogP0.49
Rot. Bonds3

About 1-[(2-tert-butyl-8-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate

1-[(2-tert-butyl-8-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate (PubChem CID 39146550) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-[(2-tert-butyl-8-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate.

Molecular Properties

Compound Name1-[(2-tert-butyl-8-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate
PubChem CID39146550
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-[(2-tert-butyl-8-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate
SMILESCc1cccn2c(C[NH+]3CCC(C(=O)[O-])CC3)c(C(C)(C)C)nc12
InChIInChI=1S/C19H27N3O2/c1-13-6-5-9-22-15(16(19(2,3)4)20-17(13)22)12-21-10-7-14(8-11-21)18(23)24/h5-6,9,14H,7-8,10-12H2,1-4H3,(H,23,24)
InChIKeyZVBHMYOSNJEHMZ-UHFFFAOYSA-N
XLogP0.49
TPSA61.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2-tert-butyl-8-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate with MolForge

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Related Compounds

2-tert-butyl-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 79015469
1-[(5-methyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate
CID 39146524
1-(2-tert-butyl-8-methylimidazo[1,2-a]pyridin-3-yl)-2-phenylethane-1,2-dione
CID 156700622
(2-tert-butyl-8-chloroimidazo[1,2-a]pyridin-3-yl)methanol
CID 82529526
2-(2-tert-butyl-8-chloroimidazo[1,2-a]pyridin-3-yl)ethanamine
CID 82529429
1-(2-tert-butyl-8-methylimidazo[1,2-a]pyridin-3-yl)-2,2-dimethylpropan-1-amine
CID 82029353
(2-tert-butyl-8-fluoroimidazo[1,2-a]pyridin-3-yl)methanol
CID 82529525
3-[2-(4-tert-butylphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]propanoic acid
CID 82035109
1-(4-amino-10-methyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),5,8,10,12-pentaen-3-yl)ethanone
CID 21121018
[3-[(3-hydroxyazetidin-1-yl)methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
CID 56863813
2-[2-(4-tert-butylphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethanamine
CID 28866506
[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
CID 56861689

Frequently Asked Questions

What is the IUPAC name of 1-[(2-tert-butyl-8-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate?
The IUPAC name of 1-[(2-tert-butyl-8-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate (CID 39146550) is 1-[(2-tert-butyl-8-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate.
What is the SMILES notation for 1-[(2-tert-butyl-8-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate?
The canonical SMILES for 1-[(2-tert-butyl-8-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate is Cc1cccn2c(C[NH+]3CCC(C(=O)[O-])CC3)c(C(C)(C)C)nc12.
What is the InChIKey of 1-[(2-tert-butyl-8-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate?
The InChIKey is ZVBHMYOSNJEHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-13-6-5-9-22-15(16(19(2,3)4)20-17(13)22)12-21-10-7-14(8-11-21)18(23)24/h5-6,9,14H,7-8,10-12H2,1-4H3,(H,23,24).
What are the key properties of 1-[(2-tert-butyl-8-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate?
1-[(2-tert-butyl-8-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate has a molecular weight of 329.44 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-tert-butyl-8-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate is sourced from PubChem (CID 39146550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).