4-[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]piperazine-1-carbaldehyde

C15H17N3O3 — CID 110694594

IUPAC4-[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)CC2C(=O)Nc3ccccc32)CC1
InChIInChI=1S/C15H17N3O3/c19-10-17-5-7-18(8-6-17)14(20)9-12-11-3-1-2-4-13(11)16-15(12)21/h1-4,10,12H,5-9H2,(H,16,21)
InChIKeyYLLOJNJZTXAVES-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.41
Rot. Bonds3

About 4-[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]piperazine-1-carbaldehyde

4-[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]piperazine-1-carbaldehyde (PubChem CID 110694594) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]piperazine-1-carbaldehyde
PubChem CID110694594
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name4-[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)CC2C(=O)Nc3ccccc32)CC1
InChIInChI=1S/C15H17N3O3/c19-10-17-5-7-18(8-6-17)14(20)9-12-11-3-1-2-4-13(11)16-15(12)21/h1-4,10,12H,5-9H2,(H,16,21)
InChIKeyYLLOJNJZTXAVES-UHFFFAOYSA-N
XLogP0.41
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.41
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 4-[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]piperazine-1-carbaldehyde (CID 110694594) is 4-[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]piperazine-1-carbaldehyde is O=CN1CCN(C(=O)CC2C(=O)Nc3ccccc32)CC1.
What is the InChIKey of 4-[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]piperazine-1-carbaldehyde?
The InChIKey is YLLOJNJZTXAVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-10-17-5-7-18(8-6-17)14(20)9-12-11-3-1-2-4-13(11)16-15(12)21/h1-4,10,12H,5-9H2,(H,16,21).
What are the key properties of 4-[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]piperazine-1-carbaldehyde?
4-[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]piperazine-1-carbaldehyde has a molecular weight of 287.32 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 110694594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).