3-piperazin-1-yl-1-propan-2-ylpyrrolidine-2,5-dione

C11H19N3O2 — CID 43636511

IUPAC3-piperazin-1-yl-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)N1C(=O)CC(N2CCNCC2)C1=O
InChIInChI=1S/C11H19N3O2/c1-8(2)14-10(15)7-9(11(14)16)13-5-3-12-4-6-13/h8-9,12H,3-7H2,1-2H3
InChIKeyLBNQYCLMVYPVDI-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.57
Rot. Bonds2

About 3-piperazin-1-yl-1-propan-2-ylpyrrolidine-2,5-dione

3-piperazin-1-yl-1-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 43636511) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-piperazin-1-yl-1-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-piperazin-1-yl-1-propan-2-ylpyrrolidine-2,5-dione
PubChem CID43636511
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-piperazin-1-yl-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)N1C(=O)CC(N2CCNCC2)C1=O
InChIInChI=1S/C11H19N3O2/c1-8(2)14-10(15)7-9(11(14)16)13-5-3-12-4-6-13/h8-9,12H,3-7H2,1-2H3
InChIKeyLBNQYCLMVYPVDI-UHFFFAOYSA-N
XLogP-0.57
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-piperazin-1-yl-1-propan-2-ylpyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-morpholin-4-yl-1-propan-2-ylpyrrolidine-2,5-dione
CID 7393878
(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-propan-2-ylpyrrolidine-2,5-dione
CID 7195453
3-[4-(4-fluorophenyl)piperazin-1-yl]-1-propan-2-ylpyrrolidine-2,5-dione
CID 2991993
3-(1,4-diazepan-1-yl)-1-methylpyrrolidine-2,5-dione
CID 43635976
3-piperazin-1-yl-1-(2-propan-2-ylphenyl)pyrrolidine-2,5-dione
CID 54773621
3-(1,4-diazepan-1-yl)-1-propylpyrrolidine-2,5-dione
CID 43636514
1-(2-chlorophenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione
CID 54773610
1-(3-methoxyphenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione
CID 54773622
2-[1-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)pyrrolidin-2-yl]acetic acid
CID 61371520
(3R)-3-morpholin-4-yl-1-[(1S)-1-phenylethyl]pyrrolidine-2,5-dione
CID 7377881
1-(1-phenylpropan-2-yl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione
CID 13220410
1-(3-fluorophenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione
CID 54773613

Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yl-1-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-piperazin-1-yl-1-propan-2-ylpyrrolidine-2,5-dione (CID 43636511) is 3-piperazin-1-yl-1-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-piperazin-1-yl-1-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-piperazin-1-yl-1-propan-2-ylpyrrolidine-2,5-dione is CC(C)N1C(=O)CC(N2CCNCC2)C1=O.
What is the InChIKey of 3-piperazin-1-yl-1-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is LBNQYCLMVYPVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(2)14-10(15)7-9(11(14)16)13-5-3-12-4-6-13/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 3-piperazin-1-yl-1-propan-2-ylpyrrolidine-2,5-dione?
3-piperazin-1-yl-1-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 225.29 g/mol, XLogP of -0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yl-1-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 43636511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).