2-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde

C15H20N4O — CID 43586157

IUPAC2-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCN(C)C1CCN(c2nc3ccccn3c2C=O)CC1
InChIInChI=1S/C15H20N4O/c1-17(2)12-6-9-18(10-7-12)15-13(11-20)19-8-4-3-5-14(19)16-15/h3-5,8,11-12H,6-7,9-10H2,1-2H3
InChIKeyGZDHCHVUSKAKJU-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.68
Rot. Bonds3

About 2-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde

2-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 43586157) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID43586157
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCN(C)C1CCN(c2nc3ccccn3c2C=O)CC1
InChIInChI=1S/C15H20N4O/c1-17(2)12-6-9-18(10-7-12)15-13(11-20)19-8-4-3-5-14(19)16-15/h3-5,8,11-12H,6-7,9-10H2,1-2H3
InChIKeyGZDHCHVUSKAKJU-UHFFFAOYSA-N
XLogP1.68
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde (CID 43586157) is 2-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde is CN(C)C1CCN(c2nc3ccccn3c2C=O)CC1.
What is the InChIKey of 2-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is GZDHCHVUSKAKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-17(2)12-6-9-18(10-7-12)15-13(11-20)19-8-4-3-5-14(19)16-15/h3-5,8,11-12H,6-7,9-10H2,1-2H3.
What are the key properties of 2-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde?
2-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 272.35 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 43586157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).