1-[3-(propan-2-ylamino)propyl]piperidine-2,6-dione

C11H20N2O2 — CID 61387967

IUPAC1-[3-(propan-2-ylamino)propyl]piperidine-2,6-dione
SMILESCC(C)NCCCN1C(=O)CCCC1=O
InChIInChI=1S/C11H20N2O2/c1-9(2)12-7-4-8-13-10(14)5-3-6-11(13)15/h9,12H,3-8H2,1-2H3
InChIKeyZWHTXGQFLZLJTD-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.91
Rot. Bonds5

About 1-[3-(propan-2-ylamino)propyl]piperidine-2,6-dione

1-[3-(propan-2-ylamino)propyl]piperidine-2,6-dione (PubChem CID 61387967) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-[3-(propan-2-ylamino)propyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[3-(propan-2-ylamino)propyl]piperidine-2,6-dione
PubChem CID61387967
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-[3-(propan-2-ylamino)propyl]piperidine-2,6-dione
SMILESCC(C)NCCCN1C(=O)CCCC1=O
InChIInChI=1S/C11H20N2O2/c1-9(2)12-7-4-8-13-10(14)5-3-6-11(13)15/h9,12H,3-8H2,1-2H3
InChIKeyZWHTXGQFLZLJTD-UHFFFAOYSA-N
XLogP0.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-(propan-2-ylamino)propyl]piperidine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(propan-2-ylamino)propyl]piperidine-2,6-dione?
The IUPAC name of 1-[3-(propan-2-ylamino)propyl]piperidine-2,6-dione (CID 61387967) is 1-[3-(propan-2-ylamino)propyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[3-(propan-2-ylamino)propyl]piperidine-2,6-dione?
The canonical SMILES for 1-[3-(propan-2-ylamino)propyl]piperidine-2,6-dione is CC(C)NCCCN1C(=O)CCCC1=O.
What is the InChIKey of 1-[3-(propan-2-ylamino)propyl]piperidine-2,6-dione?
The InChIKey is ZWHTXGQFLZLJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-9(2)12-7-4-8-13-10(14)5-3-6-11(13)15/h9,12H,3-8H2,1-2H3.
What are the key properties of 1-[3-(propan-2-ylamino)propyl]piperidine-2,6-dione?
1-[3-(propan-2-ylamino)propyl]piperidine-2,6-dione has a molecular weight of 212.29 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(propan-2-ylamino)propyl]piperidine-2,6-dione is sourced from PubChem (CID 61387967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).