3-(2-piperazin-1-ylanilino)piperidine-2,6-dione

C15H20N4O2 — CID 168896759

IUPAC3-(2-piperazin-1-ylanilino)piperidine-2,6-dione
SMILESO=C1CCC(Nc2ccccc2N2CCNCC2)C(=O)N1
InChIInChI=1S/C15H20N4O2/c20-14-6-5-12(15(21)18-14)17-11-3-1-2-4-13(11)19-9-7-16-8-10-19/h1-4,12,16-17H,5-10H2,(H,18,20,21)
InChIKeyGPOOLSVJDYEJSM-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.31
Rot. Bonds3

About 3-(2-piperazin-1-ylanilino)piperidine-2,6-dione

3-(2-piperazin-1-ylanilino)piperidine-2,6-dione (PubChem CID 168896759) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-(2-piperazin-1-ylanilino)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(2-piperazin-1-ylanilino)piperidine-2,6-dione
PubChem CID168896759
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3-(2-piperazin-1-ylanilino)piperidine-2,6-dione
SMILESO=C1CCC(Nc2ccccc2N2CCNCC2)C(=O)N1
InChIInChI=1S/C15H20N4O2/c20-14-6-5-12(15(21)18-14)17-11-3-1-2-4-13(11)19-9-7-16-8-10-19/h1-4,12,16-17H,5-10H2,(H,18,20,21)
InChIKeyGPOOLSVJDYEJSM-UHFFFAOYSA-N
XLogP0.31
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-piperazin-1-ylanilino)piperidine-2,6-dione?
The IUPAC name of 3-(2-piperazin-1-ylanilino)piperidine-2,6-dione (CID 168896759) is 3-(2-piperazin-1-ylanilino)piperidine-2,6-dione.
What is the SMILES notation for 3-(2-piperazin-1-ylanilino)piperidine-2,6-dione?
The canonical SMILES for 3-(2-piperazin-1-ylanilino)piperidine-2,6-dione is O=C1CCC(Nc2ccccc2N2CCNCC2)C(=O)N1.
What is the InChIKey of 3-(2-piperazin-1-ylanilino)piperidine-2,6-dione?
The InChIKey is GPOOLSVJDYEJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c20-14-6-5-12(15(21)18-14)17-11-3-1-2-4-13(11)19-9-7-16-8-10-19/h1-4,12,16-17H,5-10H2,(H,18,20,21).
What are the key properties of 3-(2-piperazin-1-ylanilino)piperidine-2,6-dione?
3-(2-piperazin-1-ylanilino)piperidine-2,6-dione has a molecular weight of 288.35 g/mol, XLogP of 0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperazin-1-ylanilino)piperidine-2,6-dione is sourced from PubChem (CID 168896759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).