9-methyl-4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde

C15H17N3O2 — CID 723067

IUPAC9-methyl-4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESCc1cccn2c(=O)c(C=O)c(N3CCCCC3)nc12
InChIInChI=1S/C15H17N3O2/c1-11-6-5-9-18-13(11)16-14(12(10-19)15(18)20)17-7-3-2-4-8-17/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyUIOZEXLUWLVZRO-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.81
Rot. Bonds2

About 9-methyl-4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde

9-methyl-4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde (PubChem CID 723067) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 9-methyl-4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name9-methyl-4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde
PubChem CID723067
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name9-methyl-4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESCc1cccn2c(=O)c(C=O)c(N3CCCCC3)nc12
InChIInChI=1S/C15H17N3O2/c1-11-6-5-9-18-13(11)16-14(12(10-19)15(18)20)17-7-3-2-4-8-17/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyUIOZEXLUWLVZRO-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
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 9-methyl-4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 9-methyl-4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde (CID 723067) is 9-methyl-4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 9-methyl-4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 9-methyl-4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde is Cc1cccn2c(=O)c(C=O)c(N3CCCCC3)nc12.
What is the InChIKey of 9-methyl-4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde?
The InChIKey is UIOZEXLUWLVZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11-6-5-9-18-13(11)16-14(12(10-19)15(18)20)17-7-3-2-4-8-17/h5-6,9-10H,2-4,7-8H2,1H3.
What are the key properties of 9-methyl-4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde?
9-methyl-4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde has a molecular weight of 271.32 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 723067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).