1-[2-(2-methylpyrrolidin-2-yl)phenyl]piperazine-2,5-dione

C15H19N3O2 — CID 117436061

IUPAC1-[2-(2-methylpyrrolidin-2-yl)phenyl]piperazine-2,5-dione
SMILESCC1(c2ccccc2N2CC(=O)NCC2=O)CCCN1
InChIInChI=1S/C15H19N3O2/c1-15(7-4-8-17-15)11-5-2-3-6-12(11)18-10-13(19)16-9-14(18)20/h2-3,5-6,17H,4,7-10H2,1H3,(H,16,19)
InChIKeyZRODPGVTBZLWDT-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.75
Rot. Bonds2

About 1-[2-(2-methylpyrrolidin-2-yl)phenyl]piperazine-2,5-dione

1-[2-(2-methylpyrrolidin-2-yl)phenyl]piperazine-2,5-dione (PubChem CID 117436061) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[2-(2-methylpyrrolidin-2-yl)phenyl]piperazine-2,5-dione.

Molecular Properties

Compound Name1-[2-(2-methylpyrrolidin-2-yl)phenyl]piperazine-2,5-dione
PubChem CID117436061
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-[2-(2-methylpyrrolidin-2-yl)phenyl]piperazine-2,5-dione
SMILESCC1(c2ccccc2N2CC(=O)NCC2=O)CCCN1
InChIInChI=1S/C15H19N3O2/c1-15(7-4-8-17-15)11-5-2-3-6-12(11)18-10-13(19)16-9-14(18)20/h2-3,5-6,17H,4,7-10H2,1H3,(H,16,19)
InChIKeyZRODPGVTBZLWDT-UHFFFAOYSA-N
XLogP0.75
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpyrrolidin-2-yl)phenyl]piperazine-2,5-dione?
The IUPAC name of 1-[2-(2-methylpyrrolidin-2-yl)phenyl]piperazine-2,5-dione (CID 117436061) is 1-[2-(2-methylpyrrolidin-2-yl)phenyl]piperazine-2,5-dione.
What is the SMILES notation for 1-[2-(2-methylpyrrolidin-2-yl)phenyl]piperazine-2,5-dione?
The canonical SMILES for 1-[2-(2-methylpyrrolidin-2-yl)phenyl]piperazine-2,5-dione is CC1(c2ccccc2N2CC(=O)NCC2=O)CCCN1.
What is the InChIKey of 1-[2-(2-methylpyrrolidin-2-yl)phenyl]piperazine-2,5-dione?
The InChIKey is ZRODPGVTBZLWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-15(7-4-8-17-15)11-5-2-3-6-12(11)18-10-13(19)16-9-14(18)20/h2-3,5-6,17H,4,7-10H2,1H3,(H,16,19).
What are the key properties of 1-[2-(2-methylpyrrolidin-2-yl)phenyl]piperazine-2,5-dione?
1-[2-(2-methylpyrrolidin-2-yl)phenyl]piperazine-2,5-dione has a molecular weight of 273.34 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpyrrolidin-2-yl)phenyl]piperazine-2,5-dione is sourced from PubChem (CID 117436061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).