1-(2-phenylpropyl)-3-propylpiperazine-2,5-dione

C16H22N2O2 — CID 104592447

IUPAC1-(2-phenylpropyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(CC(C)c2ccccc2)C1=O
InChIInChI=1S/C16H22N2O2/c1-3-7-14-16(20)18(11-15(19)17-14)10-12(2)13-8-5-4-6-9-13/h4-6,8-9,12,14H,3,7,10-11H2,1-2H3,(H,17,19)
InChIKeyLODIFVUOQMDXFC-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.92
Rot. Bonds5

About 1-(2-phenylpropyl)-3-propylpiperazine-2,5-dione

1-(2-phenylpropyl)-3-propylpiperazine-2,5-dione (PubChem CID 104592447) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(2-phenylpropyl)-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-phenylpropyl)-3-propylpiperazine-2,5-dione
PubChem CID104592447
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(2-phenylpropyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(CC(C)c2ccccc2)C1=O
InChIInChI=1S/C16H22N2O2/c1-3-7-14-16(20)18(11-15(19)17-14)10-12(2)13-8-5-4-6-9-13/h4-6,8-9,12,14H,3,7,10-11H2,1-2H3,(H,17,19)
InChIKeyLODIFVUOQMDXFC-UHFFFAOYSA-N
XLogP1.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylpropyl)-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-(2-phenylpropyl)-3-propylpiperazine-2,5-dione (CID 104592447) is 1-(2-phenylpropyl)-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-phenylpropyl)-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-phenylpropyl)-3-propylpiperazine-2,5-dione is CCCC1NC(=O)CN(CC(C)c2ccccc2)C1=O.
What is the InChIKey of 1-(2-phenylpropyl)-3-propylpiperazine-2,5-dione?
The InChIKey is LODIFVUOQMDXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-7-14-16(20)18(11-15(19)17-14)10-12(2)13-8-5-4-6-9-13/h4-6,8-9,12,14H,3,7,10-11H2,1-2H3,(H,17,19).
What are the key properties of 1-(2-phenylpropyl)-3-propylpiperazine-2,5-dione?
1-(2-phenylpropyl)-3-propylpiperazine-2,5-dione has a molecular weight of 274.36 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylpropyl)-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 104592447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).