4-[2-(azetidin-3-yl)ethyl]-3,3-dimethylpiperazine-2,6-dione

C11H19N3O2 — CID 107390973

IUPAC4-[2-(azetidin-3-yl)ethyl]-3,3-dimethylpiperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1CCC1CNC1
InChIInChI=1S/C11H19N3O2/c1-11(2)10(16)13-9(15)7-14(11)4-3-8-5-12-6-8/h8,12H,3-7H2,1-2H3,(H,13,15,16)
InChIKeyDKUMCPUECIIKFW-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.67
Rot. Bonds3

About 4-[2-(azetidin-3-yl)ethyl]-3,3-dimethylpiperazine-2,6-dione

4-[2-(azetidin-3-yl)ethyl]-3,3-dimethylpiperazine-2,6-dione (PubChem CID 107390973) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-[2-(azetidin-3-yl)ethyl]-3,3-dimethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-(azetidin-3-yl)ethyl]-3,3-dimethylpiperazine-2,6-dione
PubChem CID107390973
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-[2-(azetidin-3-yl)ethyl]-3,3-dimethylpiperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1CCC1CNC1
InChIInChI=1S/C11H19N3O2/c1-11(2)10(16)13-9(15)7-14(11)4-3-8-5-12-6-8/h8,12H,3-7H2,1-2H3,(H,13,15,16)
InChIKeyDKUMCPUECIIKFW-UHFFFAOYSA-N
XLogP-0.67
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
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 4-[2-(azetidin-3-yl)ethyl]-3,3-dimethylpiperazine-2,6-dione?
The IUPAC name of 4-[2-(azetidin-3-yl)ethyl]-3,3-dimethylpiperazine-2,6-dione (CID 107390973) is 4-[2-(azetidin-3-yl)ethyl]-3,3-dimethylpiperazine-2,6-dione.
What is the SMILES notation for 4-[2-(azetidin-3-yl)ethyl]-3,3-dimethylpiperazine-2,6-dione?
The canonical SMILES for 4-[2-(azetidin-3-yl)ethyl]-3,3-dimethylpiperazine-2,6-dione is CC1(C)C(=O)NC(=O)CN1CCC1CNC1.
What is the InChIKey of 4-[2-(azetidin-3-yl)ethyl]-3,3-dimethylpiperazine-2,6-dione?
The InChIKey is DKUMCPUECIIKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-11(2)10(16)13-9(15)7-14(11)4-3-8-5-12-6-8/h8,12H,3-7H2,1-2H3,(H,13,15,16).
What are the key properties of 4-[2-(azetidin-3-yl)ethyl]-3,3-dimethylpiperazine-2,6-dione?
4-[2-(azetidin-3-yl)ethyl]-3,3-dimethylpiperazine-2,6-dione has a molecular weight of 225.29 g/mol, XLogP of -0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(azetidin-3-yl)ethyl]-3,3-dimethylpiperazine-2,6-dione is sourced from PubChem (CID 107390973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).