3-(4-aminopiperidin-1-yl)pyrrolidine-2,5-dione;dihydrochloride

C9H17Cl2N3O2 — CID 71756581

IUPAC3-(4-aminopiperidin-1-yl)pyrrolidine-2,5-dione;dihydrochloride
SMILESCl.Cl.NC1CCN(C2CC(=O)NC2=O)CC1
InChIInChI=1S/C9H15N3O2.2ClH/c10-6-1-3-12(4-2-6)7-5-8(13)11-9(7)14;;/h6-7H,1-5,10H2,(H,11,13,14);2*1H
InChIKeyVCJVRINVNZLKFM-UHFFFAOYSA-N
MW270.16 g/mol
LogP-0.33
Rot. Bonds1

About 3-(4-aminopiperidin-1-yl)pyrrolidine-2,5-dione;dihydrochloride

3-(4-aminopiperidin-1-yl)pyrrolidine-2,5-dione;dihydrochloride (PubChem CID 71756581) has the molecular formula C9H17Cl2N3O2 and a molecular weight of 270.16 g/mol. Its IUPAC name is 3-(4-aminopiperidin-1-yl)pyrrolidine-2,5-dione;dihydrochloride.

Molecular Properties

Compound Name3-(4-aminopiperidin-1-yl)pyrrolidine-2,5-dione;dihydrochloride
PubChem CID71756581
Molecular FormulaC9H17Cl2N3O2
Molecular Weight270.16 g/mol
Exact Mass269.07
IUPAC Name3-(4-aminopiperidin-1-yl)pyrrolidine-2,5-dione;dihydrochloride
SMILESCl.Cl.NC1CCN(C2CC(=O)NC2=O)CC1
InChIInChI=1S/C9H15N3O2.2ClH/c10-6-1-3-12(4-2-6)7-5-8(13)11-9(7)14;;/h6-7H,1-5,10H2,(H,11,13,14);2*1H
InChIKeyVCJVRINVNZLKFM-UHFFFAOYSA-N
XLogP-0.33
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 5-0.33
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 3-(4-aminopiperidin-1-yl)pyrrolidine-2,5-dione;dihydrochloride?
The IUPAC name of 3-(4-aminopiperidin-1-yl)pyrrolidine-2,5-dione;dihydrochloride (CID 71756581) is 3-(4-aminopiperidin-1-yl)pyrrolidine-2,5-dione;dihydrochloride.
What is the SMILES notation for 3-(4-aminopiperidin-1-yl)pyrrolidine-2,5-dione;dihydrochloride?
The canonical SMILES for 3-(4-aminopiperidin-1-yl)pyrrolidine-2,5-dione;dihydrochloride is Cl.Cl.NC1CCN(C2CC(=O)NC2=O)CC1.
What is the InChIKey of 3-(4-aminopiperidin-1-yl)pyrrolidine-2,5-dione;dihydrochloride?
The InChIKey is VCJVRINVNZLKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2.2ClH/c10-6-1-3-12(4-2-6)7-5-8(13)11-9(7)14;;/h6-7H,1-5,10H2,(H,11,13,14);2*1H.
What are the key properties of 3-(4-aminopiperidin-1-yl)pyrrolidine-2,5-dione;dihydrochloride?
3-(4-aminopiperidin-1-yl)pyrrolidine-2,5-dione;dihydrochloride has a molecular weight of 270.16 g/mol, XLogP of -0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminopiperidin-1-yl)pyrrolidine-2,5-dione;dihydrochloride is sourced from PubChem (CID 71756581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).