2-acetylpiperazine-1-carbaldehyde

C7H12N2O2 — CID 22614357

IUPAC2-acetylpiperazine-1-carbaldehyde
SMILESCC(=O)C1CNCCN1C=O
InChIInChI=1S/C7H12N2O2/c1-6(11)7-4-8-2-3-9(7)5-10/h5,7-8H,2-4H2,1H3
InChIKeyPAKPMLNESXSKHR-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.99
Rot. Bonds2

About 2-acetylpiperazine-1-carbaldehyde

2-acetylpiperazine-1-carbaldehyde (PubChem CID 22614357) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 2-acetylpiperazine-1-carbaldehyde.

Molecular Properties

Compound Name2-acetylpiperazine-1-carbaldehyde
PubChem CID22614357
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name2-acetylpiperazine-1-carbaldehyde
SMILESCC(=O)C1CNCCN1C=O
InChIInChI=1S/C7H12N2O2/c1-6(11)7-4-8-2-3-9(7)5-10/h5,7-8H,2-4H2,1H3
InChIKeyPAKPMLNESXSKHR-UHFFFAOYSA-N
XLogP-0.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.99
H-Bond Donors ≤ 51
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 2-acetylpiperazine-1-carbaldehyde?
The IUPAC name of 2-acetylpiperazine-1-carbaldehyde (CID 22614357) is 2-acetylpiperazine-1-carbaldehyde.
What is the SMILES notation for 2-acetylpiperazine-1-carbaldehyde?
The canonical SMILES for 2-acetylpiperazine-1-carbaldehyde is CC(=O)C1CNCCN1C=O.
What is the InChIKey of 2-acetylpiperazine-1-carbaldehyde?
The InChIKey is PAKPMLNESXSKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-6(11)7-4-8-2-3-9(7)5-10/h5,7-8H,2-4H2,1H3.
What are the key properties of 2-acetylpiperazine-1-carbaldehyde?
2-acetylpiperazine-1-carbaldehyde has a molecular weight of 156.19 g/mol, XLogP of -0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetylpiperazine-1-carbaldehyde is sourced from PubChem (CID 22614357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).