1-(4-pyrrolidin-1-ylphenyl)piperazine-2,5-dione

C14H17N3O2 — CID 64955695

IUPAC1-(4-pyrrolidin-1-ylphenyl)piperazine-2,5-dione
SMILESO=C1CN(c2ccc(N3CCCC3)cc2)C(=O)CN1
InChIInChI=1S/C14H17N3O2/c18-13-10-17(14(19)9-15-13)12-5-3-11(4-6-12)16-7-1-2-8-16/h3-6H,1-2,7-10H2,(H,15,18)
InChIKeyHZQXRZMOIMBNRX-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.75
Rot. Bonds2

About 1-(4-pyrrolidin-1-ylphenyl)piperazine-2,5-dione

1-(4-pyrrolidin-1-ylphenyl)piperazine-2,5-dione (PubChem CID 64955695) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(4-pyrrolidin-1-ylphenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(4-pyrrolidin-1-ylphenyl)piperazine-2,5-dione
PubChem CID64955695
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-(4-pyrrolidin-1-ylphenyl)piperazine-2,5-dione
SMILESO=C1CN(c2ccc(N3CCCC3)cc2)C(=O)CN1
InChIInChI=1S/C14H17N3O2/c18-13-10-17(14(19)9-15-13)12-5-3-11(4-6-12)16-7-1-2-8-16/h3-6H,1-2,7-10H2,(H,15,18)
InChIKeyHZQXRZMOIMBNRX-UHFFFAOYSA-N
XLogP0.75
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-pyrrolidin-1-ylphenyl)piperazine-2,5-dione?
The IUPAC name of 1-(4-pyrrolidin-1-ylphenyl)piperazine-2,5-dione (CID 64955695) is 1-(4-pyrrolidin-1-ylphenyl)piperazine-2,5-dione.
What is the SMILES notation for 1-(4-pyrrolidin-1-ylphenyl)piperazine-2,5-dione?
The canonical SMILES for 1-(4-pyrrolidin-1-ylphenyl)piperazine-2,5-dione is O=C1CN(c2ccc(N3CCCC3)cc2)C(=O)CN1.
What is the InChIKey of 1-(4-pyrrolidin-1-ylphenyl)piperazine-2,5-dione?
The InChIKey is HZQXRZMOIMBNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-13-10-17(14(19)9-15-13)12-5-3-11(4-6-12)16-7-1-2-8-16/h3-6H,1-2,7-10H2,(H,15,18).
What are the key properties of 1-(4-pyrrolidin-1-ylphenyl)piperazine-2,5-dione?
1-(4-pyrrolidin-1-ylphenyl)piperazine-2,5-dione has a molecular weight of 259.31 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyrrolidin-1-ylphenyl)piperazine-2,5-dione is sourced from PubChem (CID 64955695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).