2-[[3-(methoxymethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine;oxalic acid

C17H23N3O5 — CID 71785081

IUPAC2-[[3-(methoxymethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine;oxalic acid
SMILESCOCC1CCCN(Cc2cn3ccccc3n2)C1.O=C(O)C(=O)O
InChIInChI=1S/C15H21N3O.C2H2O4/c1-19-12-13-5-4-7-17(9-13)10-14-11-18-8-3-2-6-15(18)16-14;3-1(4)2(5)6/h2-3,6,8,11,13H,4-5,7,9-10,12H2,1H3;(H,3,4)(H,5,6)
InChIKeyRHULAMBEBVCNSB-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.35
Rot. Bonds4

About 2-[[3-(methoxymethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine;oxalic acid

2-[[3-(methoxymethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine;oxalic acid (PubChem CID 71785081) has the molecular formula C17H23N3O5 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-[[3-(methoxymethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine;oxalic acid.

Molecular Properties

Compound Name2-[[3-(methoxymethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine;oxalic acid
PubChem CID71785081
Molecular FormulaC17H23N3O5
Molecular Weight349.39 g/mol
Exact Mass349.16
IUPAC Name2-[[3-(methoxymethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine;oxalic acid
SMILESCOCC1CCCN(Cc2cn3ccccc3n2)C1.O=C(O)C(=O)O
InChIInChI=1S/C15H21N3O.C2H2O4/c1-19-12-13-5-4-7-17(9-13)10-14-11-18-8-3-2-6-15(18)16-14;3-1(4)2(5)6/h2-3,6,8,11,13H,4-5,7,9-10,12H2,1H3;(H,3,4)(H,5,6)
InChIKeyRHULAMBEBVCNSB-UHFFFAOYSA-N
XLogP1.35
TPSA104.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(methoxymethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine;oxalic acid?
The IUPAC name of 2-[[3-(methoxymethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine;oxalic acid (CID 71785081) is 2-[[3-(methoxymethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine;oxalic acid.
What is the SMILES notation for 2-[[3-(methoxymethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine;oxalic acid?
The canonical SMILES for 2-[[3-(methoxymethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine;oxalic acid is COCC1CCCN(Cc2cn3ccccc3n2)C1.O=C(O)C(=O)O.
What is the InChIKey of 2-[[3-(methoxymethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine;oxalic acid?
The InChIKey is RHULAMBEBVCNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O.C2H2O4/c1-19-12-13-5-4-7-17(9-13)10-14-11-18-8-3-2-6-15(18)16-14;3-1(4)2(5)6/h2-3,6,8,11,13H,4-5,7,9-10,12H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 2-[[3-(methoxymethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine;oxalic acid?
2-[[3-(methoxymethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine;oxalic acid has a molecular weight of 349.39 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(methoxymethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine;oxalic acid is sourced from PubChem (CID 71785081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).