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

C13H17N3O2 — CID 62927507

IUPAC1-(4-cyclopropyl-3-oxopyrazin-2-yl)piperidine-3-carbaldehyde
SMILESO=CC1CCCN(c2nccn(C3CC3)c2=O)C1
InChIInChI=1S/C13H17N3O2/c17-9-10-2-1-6-15(8-10)12-13(18)16(7-5-14-12)11-3-4-11/h5,7,9-11H,1-4,6,8H2
InChIKeyCBNZBMIYLRDRMI-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.99
Rot. Bonds3

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

1-(4-cyclopropyl-3-oxopyrazin-2-yl)piperidine-3-carbaldehyde (PubChem CID 62927507) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-(4-cyclopropyl-3-oxopyrazin-2-yl)piperidine-3-carbaldehyde.

Molecular Properties

Compound Name1-(4-cyclopropyl-3-oxopyrazin-2-yl)piperidine-3-carbaldehyde
PubChem CID62927507
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-(4-cyclopropyl-3-oxopyrazin-2-yl)piperidine-3-carbaldehyde
SMILESO=CC1CCCN(c2nccn(C3CC3)c2=O)C1
InChIInChI=1S/C13H17N3O2/c17-9-10-2-1-6-15(8-10)12-13(18)16(7-5-14-12)11-3-4-11/h5,7,9-11H,1-4,6,8H2
InChIKeyCBNZBMIYLRDRMI-UHFFFAOYSA-N
XLogP0.99
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.99
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-(4-cyclopropyl-3-oxopyrazin-2-yl)piperidine-3-carbaldehyde?
The IUPAC name of 1-(4-cyclopropyl-3-oxopyrazin-2-yl)piperidine-3-carbaldehyde (CID 62927507) is 1-(4-cyclopropyl-3-oxopyrazin-2-yl)piperidine-3-carbaldehyde.
What is the SMILES notation for 1-(4-cyclopropyl-3-oxopyrazin-2-yl)piperidine-3-carbaldehyde?
The canonical SMILES for 1-(4-cyclopropyl-3-oxopyrazin-2-yl)piperidine-3-carbaldehyde is O=CC1CCCN(c2nccn(C3CC3)c2=O)C1.
What is the InChIKey of 1-(4-cyclopropyl-3-oxopyrazin-2-yl)piperidine-3-carbaldehyde?
The InChIKey is CBNZBMIYLRDRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c17-9-10-2-1-6-15(8-10)12-13(18)16(7-5-14-12)11-3-4-11/h5,7,9-11H,1-4,6,8H2.
What are the key properties of 1-(4-cyclopropyl-3-oxopyrazin-2-yl)piperidine-3-carbaldehyde?
1-(4-cyclopropyl-3-oxopyrazin-2-yl)piperidine-3-carbaldehyde has a molecular weight of 247.30 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyl-3-oxopyrazin-2-yl)piperidine-3-carbaldehyde is sourced from PubChem (CID 62927507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).