3-(methylamino)piperidine-2,6-dione;hydrochloride

C6H11ClN2O2 — CID 119106328

IUPAC3-(methylamino)piperidine-2,6-dione;hydrochloride
SMILESCNC1CCC(=O)NC1=O.Cl
InChIInChI=1S/C6H10N2O2.ClH/c1-7-4-2-3-5(9)8-6(4)10;/h4,7H,2-3H2,1H3,(H,8,9,10);1H
InChIKeyPSWRJEXSBGYYND-UHFFFAOYSA-N
MW178.62 g/mol
LogP-0.57
Rot. Bonds1

About 3-(methylamino)piperidine-2,6-dione;hydrochloride

3-(methylamino)piperidine-2,6-dione;hydrochloride (PubChem CID 119106328) has the molecular formula C6H11ClN2O2 and a molecular weight of 178.62 g/mol. Its IUPAC name is 3-(methylamino)piperidine-2,6-dione;hydrochloride.

Molecular Properties

Compound Name3-(methylamino)piperidine-2,6-dione;hydrochloride
PubChem CID119106328
Molecular FormulaC6H11ClN2O2
Molecular Weight178.62 g/mol
Exact Mass178.05
IUPAC Name3-(methylamino)piperidine-2,6-dione;hydrochloride
SMILESCNC1CCC(=O)NC1=O.Cl
InChIInChI=1S/C6H10N2O2.ClH/c1-7-4-2-3-5(9)8-6(4)10;/h4,7H,2-3H2,1H3,(H,8,9,10);1H
InChIKeyPSWRJEXSBGYYND-UHFFFAOYSA-N
XLogP-0.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 5-0.57
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-(methylamino)piperidine-2,6-dione;hydrochloride?
The IUPAC name of 3-(methylamino)piperidine-2,6-dione;hydrochloride (CID 119106328) is 3-(methylamino)piperidine-2,6-dione;hydrochloride.
What is the SMILES notation for 3-(methylamino)piperidine-2,6-dione;hydrochloride?
The canonical SMILES for 3-(methylamino)piperidine-2,6-dione;hydrochloride is CNC1CCC(=O)NC1=O.Cl.
What is the InChIKey of 3-(methylamino)piperidine-2,6-dione;hydrochloride?
The InChIKey is PSWRJEXSBGYYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2.ClH/c1-7-4-2-3-5(9)8-6(4)10;/h4,7H,2-3H2,1H3,(H,8,9,10);1H.
What are the key properties of 3-(methylamino)piperidine-2,6-dione;hydrochloride?
3-(methylamino)piperidine-2,6-dione;hydrochloride has a molecular weight of 178.62 g/mol, XLogP of -0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)piperidine-2,6-dione;hydrochloride is sourced from PubChem (CID 119106328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).