1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-phenylpiperazine-2,5-dione

C16H18N2O3 — CID 80725487

IUPAC1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-phenylpiperazine-2,5-dione
SMILESO=C1CN(C2CC3CCC2O3)C(=O)C(c2ccccc2)N1
InChIInChI=1S/C16H18N2O3/c19-14-9-18(12-8-11-6-7-13(12)21-11)16(20)15(17-14)10-4-2-1-3-5-10/h1-5,11-13,15H,6-9H2,(H,17,19)
InChIKeySVLJEWIMBHQSHE-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.01
Rot. Bonds2

About 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-phenylpiperazine-2,5-dione

1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-phenylpiperazine-2,5-dione (PubChem CID 80725487) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-phenylpiperazine-2,5-dione
PubChem CID80725487
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-phenylpiperazine-2,5-dione
SMILESO=C1CN(C2CC3CCC2O3)C(=O)C(c2ccccc2)N1
InChIInChI=1S/C16H18N2O3/c19-14-9-18(12-8-11-6-7-13(12)21-11)16(20)15(17-14)10-4-2-1-3-5-10/h1-5,11-13,15H,6-9H2,(H,17,19)
InChIKeySVLJEWIMBHQSHE-UHFFFAOYSA-N
XLogP1.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-phenylpiperazine-2,5-dione?
The IUPAC name of 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-phenylpiperazine-2,5-dione (CID 80725487) is 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-phenylpiperazine-2,5-dione.
What is the SMILES notation for 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-phenylpiperazine-2,5-dione?
The canonical SMILES for 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-phenylpiperazine-2,5-dione is O=C1CN(C2CC3CCC2O3)C(=O)C(c2ccccc2)N1.
What is the InChIKey of 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-phenylpiperazine-2,5-dione?
The InChIKey is SVLJEWIMBHQSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-14-9-18(12-8-11-6-7-13(12)21-11)16(20)15(17-14)10-4-2-1-3-5-10/h1-5,11-13,15H,6-9H2,(H,17,19).
What are the key properties of 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-phenylpiperazine-2,5-dione?
1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-phenylpiperazine-2,5-dione has a molecular weight of 286.33 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-phenylpiperazine-2,5-dione is sourced from PubChem (CID 80725487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).