1-[2-(2-piperazin-1-ylethyl)phenyl]piperazine-2,5-dione

C16H22N4O2 — CID 117487248

IUPAC1-[2-(2-piperazin-1-ylethyl)phenyl]piperazine-2,5-dione
SMILESO=C1CN(c2ccccc2CCN2CCNCC2)C(=O)CN1
InChIInChI=1S/C16H22N4O2/c21-15-12-20(16(22)11-18-15)14-4-2-1-3-13(14)5-8-19-9-6-17-7-10-19/h1-4,17H,5-12H2,(H,18,21)
InChIKeyZPBKUYMKOCOWJB-UHFFFAOYSA-N
MW302.38 g/mol
LogP-0.40
Rot. Bonds4

About 1-[2-(2-piperazin-1-ylethyl)phenyl]piperazine-2,5-dione

1-[2-(2-piperazin-1-ylethyl)phenyl]piperazine-2,5-dione (PubChem CID 117487248) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-[2-(2-piperazin-1-ylethyl)phenyl]piperazine-2,5-dione.

Molecular Properties

Compound Name1-[2-(2-piperazin-1-ylethyl)phenyl]piperazine-2,5-dione
PubChem CID117487248
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-[2-(2-piperazin-1-ylethyl)phenyl]piperazine-2,5-dione
SMILESO=C1CN(c2ccccc2CCN2CCNCC2)C(=O)CN1
InChIInChI=1S/C16H22N4O2/c21-15-12-20(16(22)11-18-15)14-4-2-1-3-13(14)5-8-19-9-6-17-7-10-19/h1-4,17H,5-12H2,(H,18,21)
InChIKeyZPBKUYMKOCOWJB-UHFFFAOYSA-N
XLogP-0.40
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-piperazin-1-ylethyl)phenyl]piperazine-2,5-dione?
The IUPAC name of 1-[2-(2-piperazin-1-ylethyl)phenyl]piperazine-2,5-dione (CID 117487248) is 1-[2-(2-piperazin-1-ylethyl)phenyl]piperazine-2,5-dione.
What is the SMILES notation for 1-[2-(2-piperazin-1-ylethyl)phenyl]piperazine-2,5-dione?
The canonical SMILES for 1-[2-(2-piperazin-1-ylethyl)phenyl]piperazine-2,5-dione is O=C1CN(c2ccccc2CCN2CCNCC2)C(=O)CN1.
What is the InChIKey of 1-[2-(2-piperazin-1-ylethyl)phenyl]piperazine-2,5-dione?
The InChIKey is ZPBKUYMKOCOWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c21-15-12-20(16(22)11-18-15)14-4-2-1-3-13(14)5-8-19-9-6-17-7-10-19/h1-4,17H,5-12H2,(H,18,21).
What are the key properties of 1-[2-(2-piperazin-1-ylethyl)phenyl]piperazine-2,5-dione?
1-[2-(2-piperazin-1-ylethyl)phenyl]piperazine-2,5-dione has a molecular weight of 302.38 g/mol, XLogP of -0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-piperazin-1-ylethyl)phenyl]piperazine-2,5-dione is sourced from PubChem (CID 117487248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).