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

C12H17N3O2 — CID 62927159

IUPAC1-(4-ethyl-3-oxopyrazin-2-yl)piperidine-4-carbaldehyde
SMILESCCn1ccnc(N2CCC(C=O)CC2)c1=O
InChIInChI=1S/C12H17N3O2/c1-2-14-8-5-13-11(12(14)17)15-6-3-10(9-16)4-7-15/h5,8-10H,2-4,6-7H2,1H3
InChIKeyXTAXBANBHCWBSJ-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.68
Rot. Bonds3

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

1-(4-ethyl-3-oxopyrazin-2-yl)piperidine-4-carbaldehyde (PubChem CID 62927159) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-(4-ethyl-3-oxopyrazin-2-yl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(4-ethyl-3-oxopyrazin-2-yl)piperidine-4-carbaldehyde
PubChem CID62927159
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1-(4-ethyl-3-oxopyrazin-2-yl)piperidine-4-carbaldehyde
SMILESCCn1ccnc(N2CCC(C=O)CC2)c1=O
InChIInChI=1S/C12H17N3O2/c1-2-14-8-5-13-11(12(14)17)15-6-3-10(9-16)4-7-15/h5,8-10H,2-4,6-7H2,1H3
InChIKeyXTAXBANBHCWBSJ-UHFFFAOYSA-N
XLogP0.68
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.68
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-ethyl-3-oxopyrazin-2-yl)piperidine-4-carbaldehyde?
The IUPAC name of 1-(4-ethyl-3-oxopyrazin-2-yl)piperidine-4-carbaldehyde (CID 62927159) is 1-(4-ethyl-3-oxopyrazin-2-yl)piperidine-4-carbaldehyde.
What is the SMILES notation for 1-(4-ethyl-3-oxopyrazin-2-yl)piperidine-4-carbaldehyde?
The canonical SMILES for 1-(4-ethyl-3-oxopyrazin-2-yl)piperidine-4-carbaldehyde is CCn1ccnc(N2CCC(C=O)CC2)c1=O.
What is the InChIKey of 1-(4-ethyl-3-oxopyrazin-2-yl)piperidine-4-carbaldehyde?
The InChIKey is XTAXBANBHCWBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-2-14-8-5-13-11(12(14)17)15-6-3-10(9-16)4-7-15/h5,8-10H,2-4,6-7H2,1H3.
What are the key properties of 1-(4-ethyl-3-oxopyrazin-2-yl)piperidine-4-carbaldehyde?
1-(4-ethyl-3-oxopyrazin-2-yl)piperidine-4-carbaldehyde has a molecular weight of 235.29 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-3-oxopyrazin-2-yl)piperidine-4-carbaldehyde is sourced from PubChem (CID 62927159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).