2-(4-methylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde

C15H17N3O2 — CID 794782

IUPAC2-(4-methylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESCC1CCN(c2nc3ccccn3c(=O)c2C=O)CC1
InChIInChI=1S/C15H17N3O2/c1-11-5-8-17(9-6-11)14-12(10-19)15(20)18-7-3-2-4-13(18)16-14/h2-4,7,10-11H,5-6,8-9H2,1H3
InChIKeyWZPLLQICCWUSRM-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.74
Rot. Bonds2

About 2-(4-methylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde

2-(4-methylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde (PubChem CID 794782) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
PubChem CID794782
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-(4-methylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESCC1CCN(c2nc3ccccn3c(=O)c2C=O)CC1
InChIInChI=1S/C15H17N3O2/c1-11-5-8-17(9-6-11)14-12(10-19)15(20)18-7-3-2-4-13(18)16-14/h2-4,7,10-11H,5-6,8-9H2,1H3
InChIKeyWZPLLQICCWUSRM-UHFFFAOYSA-N
XLogP1.74
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.74
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-(4-ethylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 2772166
2-(4-Methyl-piperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 24746826
2-(azepan-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 687490
9-methyl-4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 723067
2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 918404
2-(2,6-dimethylmorpholin-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 2918628
9-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 890556
4-Oxo-2-piperidin-1-yl-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 794784
7-Methyl-4-oxo-2-piperidin-1-yl-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 909832
7-methyl-2-(4-methylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 2772184
2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 799817
1-(3-formyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
CID 904240

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde (CID 794782) is 2-(4-methylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde is CC1CCN(c2nc3ccccn3c(=O)c2C=O)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The InChIKey is WZPLLQICCWUSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11-5-8-17(9-6-11)14-12(10-19)15(20)18-7-3-2-4-13(18)16-14/h2-4,7,10-11H,5-6,8-9H2,1H3.
What are the key properties of 2-(4-methylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
2-(4-methylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde has a molecular weight of 271.32 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 794782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).