1-(4-tert-butyl-3-oxopyrazin-2-yl)piperidine-4-carbaldehyde

C14H21N3O2 — CID 62927334

IUPAC1-(4-tert-butyl-3-oxopyrazin-2-yl)piperidine-4-carbaldehyde
SMILESCC(C)(C)n1ccnc(N2CCC(C=O)CC2)c1=O
InChIInChI=1S/C14H21N3O2/c1-14(2,3)17-9-6-15-12(13(17)19)16-7-4-11(10-18)5-8-16/h6,9-11H,4-5,7-8H2,1-3H3
InChIKeyDPOPEKCIYRTYFL-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.41
Rot. Bonds2

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

1-(4-tert-butyl-3-oxopyrazin-2-yl)piperidine-4-carbaldehyde (PubChem CID 62927334) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(4-tert-butyl-3-oxopyrazin-2-yl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(4-tert-butyl-3-oxopyrazin-2-yl)piperidine-4-carbaldehyde
PubChem CID62927334
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-(4-tert-butyl-3-oxopyrazin-2-yl)piperidine-4-carbaldehyde
SMILESCC(C)(C)n1ccnc(N2CCC(C=O)CC2)c1=O
InChIInChI=1S/C14H21N3O2/c1-14(2,3)17-9-6-15-12(13(17)19)16-7-4-11(10-18)5-8-16/h6,9-11H,4-5,7-8H2,1-3H3
InChIKeyDPOPEKCIYRTYFL-UHFFFAOYSA-N
XLogP1.41
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.41
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-tert-butyl-3-oxopyrazin-2-yl)piperidine-4-carbaldehyde?
The IUPAC name of 1-(4-tert-butyl-3-oxopyrazin-2-yl)piperidine-4-carbaldehyde (CID 62927334) is 1-(4-tert-butyl-3-oxopyrazin-2-yl)piperidine-4-carbaldehyde.
What is the SMILES notation for 1-(4-tert-butyl-3-oxopyrazin-2-yl)piperidine-4-carbaldehyde?
The canonical SMILES for 1-(4-tert-butyl-3-oxopyrazin-2-yl)piperidine-4-carbaldehyde is CC(C)(C)n1ccnc(N2CCC(C=O)CC2)c1=O.
What is the InChIKey of 1-(4-tert-butyl-3-oxopyrazin-2-yl)piperidine-4-carbaldehyde?
The InChIKey is DPOPEKCIYRTYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-14(2,3)17-9-6-15-12(13(17)19)16-7-4-11(10-18)5-8-16/h6,9-11H,4-5,7-8H2,1-3H3.
What are the key properties of 1-(4-tert-butyl-3-oxopyrazin-2-yl)piperidine-4-carbaldehyde?
1-(4-tert-butyl-3-oxopyrazin-2-yl)piperidine-4-carbaldehyde has a molecular weight of 263.34 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-3-oxopyrazin-2-yl)piperidine-4-carbaldehyde is sourced from PubChem (CID 62927334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).