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

C15H17N3O2 — CID 909832

IUPAC7-methyl-4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESCc1ccc2nc(N3CCCCC3)c(C=O)c(=O)n2c1
InChIInChI=1S/C15H17N3O2/c1-11-5-6-13-16-14(17-7-3-2-4-8-17)12(10-19)15(20)18(13)9-11/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyHFXUSQVHWHQZJR-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.81
Rot. Bonds2

About 7-methyl-4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde

7-methyl-4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde (PubChem CID 909832) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 7-methyl-4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name7-methyl-4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde
PubChem CID909832
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name7-methyl-4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESCc1ccc2nc(N3CCCCC3)c(C=O)c(=O)n2c1
InChIInChI=1S/C15H17N3O2/c1-11-5-6-13-16-14(17-7-3-2-4-8-17)12(10-19)15(20)18(13)9-11/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyHFXUSQVHWHQZJR-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 7-methyl-4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 7-methyl-4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde (CID 909832) is 7-methyl-4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 7-methyl-4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 7-methyl-4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde is Cc1ccc2nc(N3CCCCC3)c(C=O)c(=O)n2c1.
What is the InChIKey of 7-methyl-4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde?
The InChIKey is HFXUSQVHWHQZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11-5-6-13-16-14(17-7-3-2-4-8-17)12(10-19)15(20)18(13)9-11/h5-6,9-10H,2-4,7-8H2,1H3.
What are the key properties of 7-methyl-4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde?
7-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 7-methyl-4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 909832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).