3-aminopiperidine-2,6-dione;hydron;chloride

C5H9ClN2O2 — CID 22455952

IUPAC3-aminopiperidine-2,6-dione;hydron;chloride
SMILESNC1CCC(=O)NC1=O.[Cl-].[H+]
InChIInChI=1S/C5H8N2O2.ClH/c6-3-1-2-4(8)7-5(3)9;/h3H,1-2,6H2,(H,7,8,9);1H
InChIKeyYCPULGHBTPQLRH-UHFFFAOYSA-N
MW164.59 g/mol
LogP-4.13
Rot. Bonds

About 3-aminopiperidine-2,6-dione;hydron;chloride

3-aminopiperidine-2,6-dione;hydron;chloride (PubChem CID 22455952) has the molecular formula C5H9ClN2O2 and a molecular weight of 164.59 g/mol. Its IUPAC name is 3-aminopiperidine-2,6-dione;hydron;chloride.

Molecular Properties

Compound Name3-aminopiperidine-2,6-dione;hydron;chloride
PubChem CID22455952
Molecular FormulaC5H9ClN2O2
Molecular Weight164.59 g/mol
Exact Mass164.04
IUPAC Name3-aminopiperidine-2,6-dione;hydron;chloride
SMILESNC1CCC(=O)NC1=O.[Cl-].[H+]
InChIInChI=1S/C5H8N2O2.ClH/c6-3-1-2-4(8)7-5(3)9;/h3H,1-2,6H2,(H,7,8,9);1H
InChIKeyYCPULGHBTPQLRH-UHFFFAOYSA-N
XLogP-4.13
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.59
LogP ≤ 5-4.13
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-aminopiperidine-2,6-dione;hydron;chloride?
The IUPAC name of 3-aminopiperidine-2,6-dione;hydron;chloride (CID 22455952) is 3-aminopiperidine-2,6-dione;hydron;chloride.
What is the SMILES notation for 3-aminopiperidine-2,6-dione;hydron;chloride?
The canonical SMILES for 3-aminopiperidine-2,6-dione;hydron;chloride is NC1CCC(=O)NC1=O.[Cl-].[H+].
What is the InChIKey of 3-aminopiperidine-2,6-dione;hydron;chloride?
The InChIKey is YCPULGHBTPQLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2.ClH/c6-3-1-2-4(8)7-5(3)9;/h3H,1-2,6H2,(H,7,8,9);1H.
What are the key properties of 3-aminopiperidine-2,6-dione;hydron;chloride?
3-aminopiperidine-2,6-dione;hydron;chloride has a molecular weight of 164.59 g/mol, XLogP of -4.13, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopiperidine-2,6-dione;hydron;chloride is sourced from PubChem (CID 22455952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).