3-(6-piperazin-1-yl-3-pyridinyl)piperidine-2,6-dione

C14H18N4O2 — CID 166116993

IUPAC3-(6-piperazin-1-yl-3-pyridinyl)piperidine-2,6-dione
SMILESO=C1CCC(c2ccc(N3CCNCC3)nc2)C(=O)N1
InChIInChI=1S/C14H18N4O2/c19-13-4-2-11(14(20)17-13)10-1-3-12(16-9-10)18-7-5-15-6-8-18/h1,3,9,11,15H,2,4-8H2,(H,17,19,20)
InChIKeyGAGVHQWXBFGLRY-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.01
Rot. Bonds2

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

3-(6-piperazin-1-yl-3-pyridinyl)piperidine-2,6-dione (PubChem CID 166116993) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-(6-piperazin-1-yl-3-pyridinyl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(6-piperazin-1-yl-3-pyridinyl)piperidine-2,6-dione
PubChem CID166116993
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-(6-piperazin-1-yl-3-pyridinyl)piperidine-2,6-dione
SMILESO=C1CCC(c2ccc(N3CCNCC3)nc2)C(=O)N1
InChIInChI=1S/C14H18N4O2/c19-13-4-2-11(14(20)17-13)10-1-3-12(16-9-10)18-7-5-15-6-8-18/h1,3,9,11,15H,2,4-8H2,(H,17,19,20)
InChIKeyGAGVHQWXBFGLRY-UHFFFAOYSA-N
XLogP0.01
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.01
H-Bond Donors ≤ 52
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-(6-piperazin-1-yl-3-pyridinyl)piperidine-2,6-dione?
The IUPAC name of 3-(6-piperazin-1-yl-3-pyridinyl)piperidine-2,6-dione (CID 166116993) is 3-(6-piperazin-1-yl-3-pyridinyl)piperidine-2,6-dione.
What is the SMILES notation for 3-(6-piperazin-1-yl-3-pyridinyl)piperidine-2,6-dione?
The canonical SMILES for 3-(6-piperazin-1-yl-3-pyridinyl)piperidine-2,6-dione is O=C1CCC(c2ccc(N3CCNCC3)nc2)C(=O)N1.
What is the InChIKey of 3-(6-piperazin-1-yl-3-pyridinyl)piperidine-2,6-dione?
The InChIKey is GAGVHQWXBFGLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c19-13-4-2-11(14(20)17-13)10-1-3-12(16-9-10)18-7-5-15-6-8-18/h1,3,9,11,15H,2,4-8H2,(H,17,19,20).
What are the key properties of 3-(6-piperazin-1-yl-3-pyridinyl)piperidine-2,6-dione?
3-(6-piperazin-1-yl-3-pyridinyl)piperidine-2,6-dione has a molecular weight of 274.32 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-piperazin-1-yl-3-pyridinyl)piperidine-2,6-dione is sourced from PubChem (CID 166116993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).