1-(2-pyridin-4-ylethyl)piperidine-2,6-dione

C12H14N2O2 — CID 86299954

IUPAC1-(2-pyridin-4-ylethyl)piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1CCc1ccncc1
InChIInChI=1S/C12H14N2O2/c15-11-2-1-3-12(16)14(11)9-6-10-4-7-13-8-5-10/h4-5,7-8H,1-3,6,9H2
InChIKeyYWVFABONHTWFOB-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.16
Rot. Bonds3

About 1-(2-pyridin-4-ylethyl)piperidine-2,6-dione

1-(2-pyridin-4-ylethyl)piperidine-2,6-dione (PubChem CID 86299954) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-(2-pyridin-4-ylethyl)piperidine-2,6-dione.

Molecular Properties

Compound Name1-(2-pyridin-4-ylethyl)piperidine-2,6-dione
PubChem CID86299954
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-(2-pyridin-4-ylethyl)piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1CCc1ccncc1
InChIInChI=1S/C12H14N2O2/c15-11-2-1-3-12(16)14(11)9-6-10-4-7-13-8-5-10/h4-5,7-8H,1-3,6,9H2
InChIKeyYWVFABONHTWFOB-UHFFFAOYSA-N
XLogP1.16
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-4-ylethyl)piperidine-2,6-dione?
The IUPAC name of 1-(2-pyridin-4-ylethyl)piperidine-2,6-dione (CID 86299954) is 1-(2-pyridin-4-ylethyl)piperidine-2,6-dione.
What is the SMILES notation for 1-(2-pyridin-4-ylethyl)piperidine-2,6-dione?
The canonical SMILES for 1-(2-pyridin-4-ylethyl)piperidine-2,6-dione is O=C1CCCC(=O)N1CCc1ccncc1.
What is the InChIKey of 1-(2-pyridin-4-ylethyl)piperidine-2,6-dione?
The InChIKey is YWVFABONHTWFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c15-11-2-1-3-12(16)14(11)9-6-10-4-7-13-8-5-10/h4-5,7-8H,1-3,6,9H2.
What are the key properties of 1-(2-pyridin-4-ylethyl)piperidine-2,6-dione?
1-(2-pyridin-4-ylethyl)piperidine-2,6-dione has a molecular weight of 218.26 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-4-ylethyl)piperidine-2,6-dione is sourced from PubChem (CID 86299954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).