3-(2-bicyclo[2.2.1]heptanylmethylamino)piperidine-2,6-dione

C13H20N2O2 — CID 79551566

IUPAC3-(2-bicyclo[2.2.1]heptanylmethylamino)piperidine-2,6-dione
SMILESO=C1CCC(NCC2CC3CCC2C3)C(=O)N1
InChIInChI=1S/C13H20N2O2/c16-12-4-3-11(13(17)15-12)14-7-10-6-8-1-2-9(10)5-8/h8-11,14H,1-7H2,(H,15,16,17)
InChIKeyCKAIOWCOHUKSJT-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.82
Rot. Bonds3

About 3-(2-bicyclo[2.2.1]heptanylmethylamino)piperidine-2,6-dione

3-(2-bicyclo[2.2.1]heptanylmethylamino)piperidine-2,6-dione (PubChem CID 79551566) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanylmethylamino)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanylmethylamino)piperidine-2,6-dione
PubChem CID79551566
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-(2-bicyclo[2.2.1]heptanylmethylamino)piperidine-2,6-dione
SMILESO=C1CCC(NCC2CC3CCC2C3)C(=O)N1
InChIInChI=1S/C13H20N2O2/c16-12-4-3-11(13(17)15-12)14-7-10-6-8-1-2-9(10)5-8/h8-11,14H,1-7H2,(H,15,16,17)
InChIKeyCKAIOWCOHUKSJT-UHFFFAOYSA-N
XLogP0.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.82
H-Bond Donors ≤ 52
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 3-(2-bicyclo[2.2.1]heptanylmethylamino)piperidine-2,6-dione?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethylamino)piperidine-2,6-dione (CID 79551566) is 3-(2-bicyclo[2.2.1]heptanylmethylamino)piperidine-2,6-dione.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanylmethylamino)piperidine-2,6-dione?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanylmethylamino)piperidine-2,6-dione is O=C1CCC(NCC2CC3CCC2C3)C(=O)N1.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanylmethylamino)piperidine-2,6-dione?
The InChIKey is CKAIOWCOHUKSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c16-12-4-3-11(13(17)15-12)14-7-10-6-8-1-2-9(10)5-8/h8-11,14H,1-7H2,(H,15,16,17).
What are the key properties of 3-(2-bicyclo[2.2.1]heptanylmethylamino)piperidine-2,6-dione?
3-(2-bicyclo[2.2.1]heptanylmethylamino)piperidine-2,6-dione has a molecular weight of 236.31 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]heptanylmethylamino)piperidine-2,6-dione is sourced from PubChem (CID 79551566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).