2-[3-(methoxymethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde

C15H19N3O2 — CID 106587506

IUPAC2-[3-(methoxymethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCOCC1CCCN(c2nc3ccccn3c2C=O)C1
InChIInChI=1S/C15H19N3O2/c1-20-11-12-5-4-7-17(9-12)15-13(10-19)18-8-3-2-6-14(18)16-15/h2-3,6,8,10,12H,4-5,7,9,11H2,1H3
InChIKeyODBPKCQDNFFNBC-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.01
Rot. Bonds4

About 2-[3-(methoxymethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde

2-[3-(methoxymethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 106587506) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-[3-(methoxymethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID106587506
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[3-(methoxymethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCOCC1CCCN(c2nc3ccccn3c2C=O)C1
InChIInChI=1S/C15H19N3O2/c1-20-11-12-5-4-7-17(9-12)15-13(10-19)18-8-3-2-6-14(18)16-15/h2-3,6,8,10,12H,4-5,7,9,11H2,1H3
InChIKeyODBPKCQDNFFNBC-UHFFFAOYSA-N
XLogP2.01
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxypyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 103534998
2-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43586157
2-(4-tert-butylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 62090737
2-(3-ethylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43584666
3-(chloromethyl)-2-(3-ethylpiperidin-1-yl)imidazo[1,2-a]pyridine
CID 43584737
2-[4-(1-hydroxyethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 106836344
(E)-3-[2-(3-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 43477879
2-[cyclobutylmethyl(methyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 55126139
2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 102933312
2-(3,4-dihydro-1H-isoquinolin-2-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43477784
6-[3-(methoxymethyl)piperidin-1-yl]-5-methylpyridine-3-carbaldehyde
CID 106587511
6-[4-(methoxymethyl)piperidin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 63973868

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-[3-(methoxymethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde (CID 106587506) is 2-[3-(methoxymethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-[3-(methoxymethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-[3-(methoxymethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde is COCC1CCCN(c2nc3ccccn3c2C=O)C1.
What is the InChIKey of 2-[3-(methoxymethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is ODBPKCQDNFFNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-20-11-12-5-4-7-17(9-12)15-13(10-19)18-8-3-2-6-14(18)16-15/h2-3,6,8,10,12H,4-5,7,9,11H2,1H3.
What are the key properties of 2-[3-(methoxymethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde?
2-[3-(methoxymethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 273.34 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 106587506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).