1-(3-oxo-4-propylpyrazin-2-yl)piperidine-3-carbaldehyde

C13H19N3O2 — CID 62927335

IUPAC1-(3-oxo-4-propylpyrazin-2-yl)piperidine-3-carbaldehyde
SMILESCCCn1ccnc(N2CCCC(C=O)C2)c1=O
InChIInChI=1S/C13H19N3O2/c1-2-6-15-8-5-14-12(13(15)18)16-7-3-4-11(9-16)10-17/h5,8,10-11H,2-4,6-7,9H2,1H3
InChIKeyPQIRZQGSNDIWCV-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.07
Rot. Bonds4

About 1-(3-oxo-4-propylpyrazin-2-yl)piperidine-3-carbaldehyde

1-(3-oxo-4-propylpyrazin-2-yl)piperidine-3-carbaldehyde (PubChem CID 62927335) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(3-oxo-4-propylpyrazin-2-yl)piperidine-3-carbaldehyde.

Molecular Properties

Compound Name1-(3-oxo-4-propylpyrazin-2-yl)piperidine-3-carbaldehyde
PubChem CID62927335
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-(3-oxo-4-propylpyrazin-2-yl)piperidine-3-carbaldehyde
SMILESCCCn1ccnc(N2CCCC(C=O)C2)c1=O
InChIInChI=1S/C13H19N3O2/c1-2-6-15-8-5-14-12(13(15)18)16-7-3-4-11(9-16)10-17/h5,8,10-11H,2-4,6-7,9H2,1H3
InChIKeyPQIRZQGSNDIWCV-UHFFFAOYSA-N
XLogP1.07
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Ethyl-3-oxopyrazin-2-yl)piperidine-2-carbaldehyde
CID 55155091
1-(3-Oxo-4-propylpyrazin-2-yl)piperidine-4-carbaldehyde
CID 55155092
1-[4-(2-Methylpropyl)-3-oxopyrazin-2-yl]piperidine-4-carbaldehyde
CID 55155282
1-(4-Ethyl-3-oxopyrazin-2-yl)piperidine-3-carbaldehyde
CID 55155283
3-(3-Acetylpiperidin-1-yl)-1-ethylpyrazin-2-one
CID 55257188
1-(4-Ethyl-3-oxopyrazin-2-yl)piperidine-4-carbaldehyde
CID 62927159
1-(4-Cyclopropyl-3-oxopyrazin-2-yl)piperidine-4-carbaldehyde
CID 62927160
1-(4-Tert-butyl-3-oxopyrazin-2-yl)piperidine-4-carbaldehyde
CID 62927334
1-(3-Oxo-4-propan-2-ylpyrazin-2-yl)piperidine-3-carbaldehyde
CID 62927336
1-(4-Cyclopropyl-3-oxopyrazin-2-yl)piperidine-3-carbaldehyde
CID 62927507
1-[4-(2-Methylpropyl)-3-oxopyrazin-2-yl]piperidine-3-carbaldehyde
CID 62927508
1-(4-Tert-butyl-3-oxopyrazin-2-yl)piperidine-3-carbaldehyde
CID 62927680

Frequently Asked Questions

What is the IUPAC name of 1-(3-oxo-4-propylpyrazin-2-yl)piperidine-3-carbaldehyde?
The IUPAC name of 1-(3-oxo-4-propylpyrazin-2-yl)piperidine-3-carbaldehyde (CID 62927335) is 1-(3-oxo-4-propylpyrazin-2-yl)piperidine-3-carbaldehyde.
What is the SMILES notation for 1-(3-oxo-4-propylpyrazin-2-yl)piperidine-3-carbaldehyde?
The canonical SMILES for 1-(3-oxo-4-propylpyrazin-2-yl)piperidine-3-carbaldehyde is CCCn1ccnc(N2CCCC(C=O)C2)c1=O.
What is the InChIKey of 1-(3-oxo-4-propylpyrazin-2-yl)piperidine-3-carbaldehyde?
The InChIKey is PQIRZQGSNDIWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-6-15-8-5-14-12(13(15)18)16-7-3-4-11(9-16)10-17/h5,8,10-11H,2-4,6-7,9H2,1H3.
What are the key properties of 1-(3-oxo-4-propylpyrazin-2-yl)piperidine-3-carbaldehyde?
1-(3-oxo-4-propylpyrazin-2-yl)piperidine-3-carbaldehyde has a molecular weight of 249.31 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-oxo-4-propylpyrazin-2-yl)piperidine-3-carbaldehyde is sourced from PubChem (CID 62927335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).