4-(6-tert-butyl-3-pyridinyl)-3-oxopiperazine-1-carbaldehyde

C14H19N3O2 — CID 134595464

IUPAC4-(6-tert-butyl-3-pyridinyl)-3-oxopiperazine-1-carbaldehyde
SMILESCC(C)(C)c1ccc(N2CCN(C=O)CC2=O)cn1
InChIInChI=1S/C14H19N3O2/c1-14(2,3)12-5-4-11(8-15-12)17-7-6-16(10-18)9-13(17)19/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyZKOAAZGYVXTMTC-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.18
Rot. Bonds2

About 4-(6-tert-butyl-3-pyridinyl)-3-oxopiperazine-1-carbaldehyde

4-(6-tert-butyl-3-pyridinyl)-3-oxopiperazine-1-carbaldehyde (PubChem CID 134595464) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-(6-tert-butyl-3-pyridinyl)-3-oxopiperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(6-tert-butyl-3-pyridinyl)-3-oxopiperazine-1-carbaldehyde
PubChem CID134595464
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-(6-tert-butyl-3-pyridinyl)-3-oxopiperazine-1-carbaldehyde
SMILESCC(C)(C)c1ccc(N2CCN(C=O)CC2=O)cn1
InChIInChI=1S/C14H19N3O2/c1-14(2,3)12-5-4-11(8-15-12)17-7-6-16(10-18)9-13(17)19/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyZKOAAZGYVXTMTC-UHFFFAOYSA-N
XLogP1.18
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(6-tert-butyl-3-pyridinyl)-3-oxopiperazine-1-carbaldehyde?
The IUPAC name of 4-(6-tert-butyl-3-pyridinyl)-3-oxopiperazine-1-carbaldehyde (CID 134595464) is 4-(6-tert-butyl-3-pyridinyl)-3-oxopiperazine-1-carbaldehyde.
What is the SMILES notation for 4-(6-tert-butyl-3-pyridinyl)-3-oxopiperazine-1-carbaldehyde?
The canonical SMILES for 4-(6-tert-butyl-3-pyridinyl)-3-oxopiperazine-1-carbaldehyde is CC(C)(C)c1ccc(N2CCN(C=O)CC2=O)cn1.
What is the InChIKey of 4-(6-tert-butyl-3-pyridinyl)-3-oxopiperazine-1-carbaldehyde?
The InChIKey is ZKOAAZGYVXTMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-14(2,3)12-5-4-11(8-15-12)17-7-6-16(10-18)9-13(17)19/h4-5,8,10H,6-7,9H2,1-3H3.
What are the key properties of 4-(6-tert-butyl-3-pyridinyl)-3-oxopiperazine-1-carbaldehyde?
4-(6-tert-butyl-3-pyridinyl)-3-oxopiperazine-1-carbaldehyde has a molecular weight of 261.32 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-tert-butyl-3-pyridinyl)-3-oxopiperazine-1-carbaldehyde is sourced from PubChem (CID 134595464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).