1-[(5-methyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate

C18H25N3O2 — CID 39146524

IUPAC1-[(5-methyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate
SMILESCc1cccc2nc(C(C)C)c(C[NH+]3CCC(C(=O)[O-])CC3)n12
InChIInChI=1S/C18H25N3O2/c1-12(2)17-15(21-13(3)5-4-6-16(21)19-17)11-20-9-7-14(8-10-20)18(22)23/h4-6,12,14H,7-11H2,1-3H3,(H,22,23)
InChIKeyKRGDZPPVBSEPSS-UHFFFAOYSA-N
MW315.42 g/mol
LogP0.31
Rot. Bonds4

About 1-[(5-methyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate

1-[(5-methyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate (PubChem CID 39146524) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[(5-methyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate.

Molecular Properties

Compound Name1-[(5-methyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate
PubChem CID39146524
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-[(5-methyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate
SMILESCc1cccc2nc(C(C)C)c(C[NH+]3CCC(C(=O)[O-])CC3)n12
InChIInChI=1S/C18H25N3O2/c1-12(2)17-15(21-13(3)5-4-6-16(21)19-17)11-20-9-7-14(8-10-20)18(22)23/h4-6,12,14H,7-11H2,1-3H3,(H,22,23)
InChIKeyKRGDZPPVBSEPSS-UHFFFAOYSA-N
XLogP0.31
TPSA61.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(5-methyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate?
The IUPAC name of 1-[(5-methyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate (CID 39146524) is 1-[(5-methyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate.
What is the SMILES notation for 1-[(5-methyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate?
The canonical SMILES for 1-[(5-methyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate is Cc1cccc2nc(C(C)C)c(C[NH+]3CCC(C(=O)[O-])CC3)n12.
What is the InChIKey of 1-[(5-methyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate?
The InChIKey is KRGDZPPVBSEPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-12(2)17-15(21-13(3)5-4-6-16(21)19-17)11-20-9-7-14(8-10-20)18(22)23/h4-6,12,14H,7-11H2,1-3H3,(H,22,23).
What are the key properties of 1-[(5-methyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate?
1-[(5-methyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate has a molecular weight of 315.42 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate is sourced from PubChem (CID 39146524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).