1-(4-methyl-3-oxopyrazin-2-yl)piperidine-2-carbaldehyde

C11H15N3O2 — CID 62940993

IUPAC1-(4-methyl-3-oxopyrazin-2-yl)piperidine-2-carbaldehyde
SMILESCn1ccnc(N2CCCCC2C=O)c1=O
InChIInChI=1S/C11H15N3O2/c1-13-7-5-12-10(11(13)16)14-6-3-2-4-9(14)8-15/h5,7-9H,2-4,6H2,1H3
InChIKeyGYZCQKIDCZUELD-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.34
Rot. Bonds2

About 1-(4-methyl-3-oxopyrazin-2-yl)piperidine-2-carbaldehyde

1-(4-methyl-3-oxopyrazin-2-yl)piperidine-2-carbaldehyde (PubChem CID 62940993) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-(4-methyl-3-oxopyrazin-2-yl)piperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-(4-methyl-3-oxopyrazin-2-yl)piperidine-2-carbaldehyde
PubChem CID62940993
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name1-(4-methyl-3-oxopyrazin-2-yl)piperidine-2-carbaldehyde
SMILESCn1ccnc(N2CCCCC2C=O)c1=O
InChIInChI=1S/C11H15N3O2/c1-13-7-5-12-10(11(13)16)14-6-3-2-4-9(14)8-15/h5,7-9H,2-4,6H2,1H3
InChIKeyGYZCQKIDCZUELD-UHFFFAOYSA-N
XLogP0.34
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(4-methyl-3-oxopyrazin-2-yl)piperidine-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3-oxopyrazin-2-yl)piperidine-2-carbaldehyde?
The IUPAC name of 1-(4-methyl-3-oxopyrazin-2-yl)piperidine-2-carbaldehyde (CID 62940993) is 1-(4-methyl-3-oxopyrazin-2-yl)piperidine-2-carbaldehyde.
What is the SMILES notation for 1-(4-methyl-3-oxopyrazin-2-yl)piperidine-2-carbaldehyde?
The canonical SMILES for 1-(4-methyl-3-oxopyrazin-2-yl)piperidine-2-carbaldehyde is Cn1ccnc(N2CCCCC2C=O)c1=O.
What is the InChIKey of 1-(4-methyl-3-oxopyrazin-2-yl)piperidine-2-carbaldehyde?
The InChIKey is GYZCQKIDCZUELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-13-7-5-12-10(11(13)16)14-6-3-2-4-9(14)8-15/h5,7-9H,2-4,6H2,1H3.
What are the key properties of 1-(4-methyl-3-oxopyrazin-2-yl)piperidine-2-carbaldehyde?
1-(4-methyl-3-oxopyrazin-2-yl)piperidine-2-carbaldehyde has a molecular weight of 221.26 g/mol, XLogP of 0.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3-oxopyrazin-2-yl)piperidine-2-carbaldehyde is sourced from PubChem (CID 62940993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).