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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Related Compounds

2-[4-(1-Methyl-2,5-dioxopyrrolidin-3-yl)piperazin-1-yl]acetamide
CID 3631511
1-(2,5-Dioxoazolidin-3-yl)piperidine-4-carboxamide
CID 2877348
3-(4-Ethylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 2989013
2-[4-(1-ethyl-2,5-dioxo-3-pyrrolidinyl)-1-piperazinyl]-N-isopropylacetamide
CID 2983546
2-(2-methyl-5-oxo-1-pyrrolidinyl)-N-[2-(1-piperidinyl)propyl]acetamide
CID 21327783
2-(2-Oxopyrrolidin-1-yl)-N-[2-(piperidin-1-yl)ethyl]acetamide
CID 44374683
1-(Piperidin-4-yl)pyrrolidine-2,5-dione hydrochloride
CID 20556253
2-(2-Oxopyrrolidin-1-yl)-N-[2-(piperidin-1-yl)propyl]acetamide
CID 44374682
N-[3-(2-Methylpiperidin-1-yl)propyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 44374716
5-(2-Oxo-2-piperidylethyl)-1,3-diazolidine-2,4-dione
CID 4737187
5-Oxo-1-(piperidin-4-YL)pyrrolidine-2-carboxamide
CID 86820478
1-(Propan-2-yl)-3-(propylamino)pyrrolidine-2,5-dione
CID 43636065

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).