1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carbaldehyde

C16H19N3O2 — CID 62654797

IUPAC1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carbaldehyde
SMILESCc1cccn2c(=O)cc(CN3CCCCC3C=O)nc12
InChIInChI=1S/C16H19N3O2/c1-12-5-4-8-19-15(21)9-13(17-16(12)19)10-18-7-3-2-6-14(18)11-20/h4-5,8-9,11,14H,2-3,6-7,10H2,1H3
InChIKeyACFQHXLFKSSNIF-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.56
Rot. Bonds3

About 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carbaldehyde

1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carbaldehyde (PubChem CID 62654797) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carbaldehyde
PubChem CID62654797
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carbaldehyde
SMILESCc1cccn2c(=O)cc(CN3CCCCC3C=O)nc12
InChIInChI=1S/C16H19N3O2/c1-12-5-4-8-19-15(21)9-13(17-16(12)19)10-18-7-3-2-6-14(18)11-20/h4-5,8-9,11,14H,2-3,6-7,10H2,1H3
InChIKeyACFQHXLFKSSNIF-UHFFFAOYSA-N
XLogP1.56
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.56
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 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carbaldehyde?
The IUPAC name of 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carbaldehyde (CID 62654797) is 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carbaldehyde.
What is the SMILES notation for 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carbaldehyde?
The canonical SMILES for 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carbaldehyde is Cc1cccn2c(=O)cc(CN3CCCCC3C=O)nc12.
What is the InChIKey of 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carbaldehyde?
The InChIKey is ACFQHXLFKSSNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12-5-4-8-19-15(21)9-13(17-16(12)19)10-18-7-3-2-6-14(18)11-20/h4-5,8-9,11,14H,2-3,6-7,10H2,1H3.
What are the key properties of 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carbaldehyde?
1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carbaldehyde has a molecular weight of 285.35 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-2-carbaldehyde is sourced from PubChem (CID 62654797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).