1-(2-methyloxolan-3-yl)-6-phenylpiperazine-2,5-dione

C15H18N2O3 — CID 82737491

IUPAC1-(2-methyloxolan-3-yl)-6-phenylpiperazine-2,5-dione
SMILESCC1OCCC1N1C(=O)CNC(=O)C1c1ccccc1
InChIInChI=1S/C15H18N2O3/c1-10-12(7-8-20-10)17-13(18)9-16-15(19)14(17)11-5-3-2-4-6-11/h2-6,10,12,14H,7-9H2,1H3,(H,16,19)
InChIKeyLDJUESPGWWCJPO-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.86
Rot. Bonds2

About 1-(2-methyloxolan-3-yl)-6-phenylpiperazine-2,5-dione

1-(2-methyloxolan-3-yl)-6-phenylpiperazine-2,5-dione (PubChem CID 82737491) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(2-methyloxolan-3-yl)-6-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-methyloxolan-3-yl)-6-phenylpiperazine-2,5-dione
PubChem CID82737491
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-(2-methyloxolan-3-yl)-6-phenylpiperazine-2,5-dione
SMILESCC1OCCC1N1C(=O)CNC(=O)C1c1ccccc1
InChIInChI=1S/C15H18N2O3/c1-10-12(7-8-20-10)17-13(18)9-16-15(19)14(17)11-5-3-2-4-6-11/h2-6,10,12,14H,7-9H2,1H3,(H,16,19)
InChIKeyLDJUESPGWWCJPO-UHFFFAOYSA-N
XLogP0.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyloxolan-3-yl)-6-phenylpiperazine-2,5-dione?
The IUPAC name of 1-(2-methyloxolan-3-yl)-6-phenylpiperazine-2,5-dione (CID 82737491) is 1-(2-methyloxolan-3-yl)-6-phenylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-methyloxolan-3-yl)-6-phenylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-methyloxolan-3-yl)-6-phenylpiperazine-2,5-dione is CC1OCCC1N1C(=O)CNC(=O)C1c1ccccc1.
What is the InChIKey of 1-(2-methyloxolan-3-yl)-6-phenylpiperazine-2,5-dione?
The InChIKey is LDJUESPGWWCJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10-12(7-8-20-10)17-13(18)9-16-15(19)14(17)11-5-3-2-4-6-11/h2-6,10,12,14H,7-9H2,1H3,(H,16,19).
What are the key properties of 1-(2-methyloxolan-3-yl)-6-phenylpiperazine-2,5-dione?
1-(2-methyloxolan-3-yl)-6-phenylpiperazine-2,5-dione has a molecular weight of 274.32 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyloxolan-3-yl)-6-phenylpiperazine-2,5-dione is sourced from PubChem (CID 82737491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).