1-methyl-3-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]pyrrolidine-2,5-dione

C15H24N4O3 — CID 3241858

IUPAC1-methyl-3-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]pyrrolidine-2,5-dione
SMILESCN1C(=O)CC(N2CCN(C(=O)CN3CCCC3)CC2)C1=O
InChIInChI=1S/C15H24N4O3/c1-16-13(20)10-12(15(16)22)18-6-8-19(9-7-18)14(21)11-17-4-2-3-5-17/h12H,2-11H2,1H3
InChIKeyTVKQBGAVGUFCJI-UHFFFAOYSA-N
MW308.38 g/mol
LogP-1.02
Rot. Bonds3

About 1-methyl-3-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]pyrrolidine-2,5-dione

1-methyl-3-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]pyrrolidine-2,5-dione (PubChem CID 3241858) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-methyl-3-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]pyrrolidine-2,5-dione
PubChem CID3241858
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name1-methyl-3-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]pyrrolidine-2,5-dione
SMILESCN1C(=O)CC(N2CCN(C(=O)CN3CCCC3)CC2)C1=O
InChIInChI=1S/C15H24N4O3/c1-16-13(20)10-12(15(16)22)18-6-8-19(9-7-18)14(21)11-17-4-2-3-5-17/h12H,2-11H2,1H3
InChIKeyTVKQBGAVGUFCJI-UHFFFAOYSA-N
XLogP-1.02
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 5-1.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-methyl-3-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]pyrrolidine-2,5-dione (CID 3241858) is 1-methyl-3-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-methyl-3-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-methyl-3-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]pyrrolidine-2,5-dione is CN1C(=O)CC(N2CCN(C(=O)CN3CCCC3)CC2)C1=O.
What is the InChIKey of 1-methyl-3-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is TVKQBGAVGUFCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-16-13(20)10-12(15(16)22)18-6-8-19(9-7-18)14(21)11-17-4-2-3-5-17/h12H,2-11H2,1H3.
What are the key properties of 1-methyl-3-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]pyrrolidine-2,5-dione?
1-methyl-3-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 308.38 g/mol, XLogP of -1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 3241858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).