1-naphthalen-1-ylpiperazine-2,5-dione

C14H12N2O2 — CID 64955278

IUPAC1-naphthalen-1-ylpiperazine-2,5-dione
SMILESO=C1CN(c2cccc3ccccc23)C(=O)CN1
InChIInChI=1S/C14H12N2O2/c17-13-9-16(14(18)8-15-13)12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H,15,17)
InChIKeyHIOCWTWOYIPCPD-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.30
Rot. Bonds1

About 1-naphthalen-1-ylpiperazine-2,5-dione

1-naphthalen-1-ylpiperazine-2,5-dione (PubChem CID 64955278) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-naphthalen-1-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-naphthalen-1-ylpiperazine-2,5-dione
PubChem CID64955278
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name1-naphthalen-1-ylpiperazine-2,5-dione
SMILESO=C1CN(c2cccc3ccccc23)C(=O)CN1
InChIInChI=1S/C14H12N2O2/c17-13-9-16(14(18)8-15-13)12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H,15,17)
InChIKeyHIOCWTWOYIPCPD-UHFFFAOYSA-N
XLogP1.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-ylpiperazine-2,5-dione?
The IUPAC name of 1-naphthalen-1-ylpiperazine-2,5-dione (CID 64955278) is 1-naphthalen-1-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-naphthalen-1-ylpiperazine-2,5-dione?
The canonical SMILES for 1-naphthalen-1-ylpiperazine-2,5-dione is O=C1CN(c2cccc3ccccc23)C(=O)CN1.
What is the InChIKey of 1-naphthalen-1-ylpiperazine-2,5-dione?
The InChIKey is HIOCWTWOYIPCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c17-13-9-16(14(18)8-15-13)12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H,15,17).
What are the key properties of 1-naphthalen-1-ylpiperazine-2,5-dione?
1-naphthalen-1-ylpiperazine-2,5-dione has a molecular weight of 240.26 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-ylpiperazine-2,5-dione is sourced from PubChem (CID 64955278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).