1-ethyl-3-phenyl-6-propan-2-ylpiperazine-2,5-dione

C15H20N2O2 — CID 64887460

IUPAC1-ethyl-3-phenyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCCN1C(=O)C(c2ccccc2)NC(=O)C1C(C)C
InChIInChI=1S/C15H20N2O2/c1-4-17-13(10(2)3)14(18)16-12(15(17)19)11-8-6-5-7-9-11/h5-10,12-13H,4H2,1-3H3,(H,16,18)
InChIKeyYEBVFPQZNBODBW-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.73
Rot. Bonds3

About 1-ethyl-3-phenyl-6-propan-2-ylpiperazine-2,5-dione

1-ethyl-3-phenyl-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 64887460) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-ethyl-3-phenyl-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-ethyl-3-phenyl-6-propan-2-ylpiperazine-2,5-dione
PubChem CID64887460
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-ethyl-3-phenyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCCN1C(=O)C(c2ccccc2)NC(=O)C1C(C)C
InChIInChI=1S/C15H20N2O2/c1-4-17-13(10(2)3)14(18)16-12(15(17)19)11-8-6-5-7-9-11/h5-10,12-13H,4H2,1-3H3,(H,16,18)
InChIKeyYEBVFPQZNBODBW-UHFFFAOYSA-N
XLogP1.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-phenyl-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-ethyl-3-phenyl-6-propan-2-ylpiperazine-2,5-dione (CID 64887460) is 1-ethyl-3-phenyl-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-ethyl-3-phenyl-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-ethyl-3-phenyl-6-propan-2-ylpiperazine-2,5-dione is CCN1C(=O)C(c2ccccc2)NC(=O)C1C(C)C.
What is the InChIKey of 1-ethyl-3-phenyl-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is YEBVFPQZNBODBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-17-13(10(2)3)14(18)16-12(15(17)19)11-8-6-5-7-9-11/h5-10,12-13H,4H2,1-3H3,(H,16,18).
What are the key properties of 1-ethyl-3-phenyl-6-propan-2-ylpiperazine-2,5-dione?
1-ethyl-3-phenyl-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 260.34 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-phenyl-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64887460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).