3-[4-(azetidin-3-ylmethylamino)phenyl]piperidine-2,6-dione

C15H19N3O2 — CID 178015429

IUPAC3-[4-(azetidin-3-ylmethylamino)phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2ccc(NCC3CNC3)cc2)C(=O)N1
InChIInChI=1S/C15H19N3O2/c19-14-6-5-13(15(20)18-14)11-1-3-12(4-2-11)17-9-10-7-16-8-10/h1-4,10,13,16-17H,5-9H2,(H,18,19,20)
InChIKeyXZMBIIOSCCVDQG-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.84
Rot. Bonds4

About 3-[4-(azetidin-3-ylmethylamino)phenyl]piperidine-2,6-dione

3-[4-(azetidin-3-ylmethylamino)phenyl]piperidine-2,6-dione (PubChem CID 178015429) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-[4-(azetidin-3-ylmethylamino)phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-(azetidin-3-ylmethylamino)phenyl]piperidine-2,6-dione
PubChem CID178015429
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-[4-(azetidin-3-ylmethylamino)phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2ccc(NCC3CNC3)cc2)C(=O)N1
InChIInChI=1S/C15H19N3O2/c19-14-6-5-13(15(20)18-14)11-1-3-12(4-2-11)17-9-10-7-16-8-10/h1-4,10,13,16-17H,5-9H2,(H,18,19,20)
InChIKeyXZMBIIOSCCVDQG-UHFFFAOYSA-N
XLogP0.84
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[4-(azetidin-3-ylmethylamino)phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[4-(azetidin-3-ylmethylamino)phenyl]piperidine-2,6-dione (CID 178015429) is 3-[4-(azetidin-3-ylmethylamino)phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-(azetidin-3-ylmethylamino)phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-(azetidin-3-ylmethylamino)phenyl]piperidine-2,6-dione is O=C1CCC(c2ccc(NCC3CNC3)cc2)C(=O)N1.
What is the InChIKey of 3-[4-(azetidin-3-ylmethylamino)phenyl]piperidine-2,6-dione?
The InChIKey is XZMBIIOSCCVDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c19-14-6-5-13(15(20)18-14)11-1-3-12(4-2-11)17-9-10-7-16-8-10/h1-4,10,13,16-17H,5-9H2,(H,18,19,20).
What are the key properties of 3-[4-(azetidin-3-ylmethylamino)phenyl]piperidine-2,6-dione?
3-[4-(azetidin-3-ylmethylamino)phenyl]piperidine-2,6-dione has a molecular weight of 273.34 g/mol, XLogP of 0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(azetidin-3-ylmethylamino)phenyl]piperidine-2,6-dione is sourced from PubChem (CID 178015429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).