1-benzyl-6-ethyl-3,3-dimethylpiperazine-2,5-dione

C15H20N2O2 — CID 64873816

IUPAC1-benzyl-6-ethyl-3,3-dimethylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C)C(=O)N1Cc1ccccc1
InChIInChI=1S/C15H20N2O2/c1-4-12-13(18)16-15(2,3)14(19)17(12)10-11-8-6-5-7-9-11/h5-9,12H,4,10H2,1-3H3,(H,16,18)
InChIKeyYDOMLWZMEDQPMT-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.70
Rot. Bonds3

About 1-benzyl-6-ethyl-3,3-dimethylpiperazine-2,5-dione

1-benzyl-6-ethyl-3,3-dimethylpiperazine-2,5-dione (PubChem CID 64873816) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-benzyl-6-ethyl-3,3-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-benzyl-6-ethyl-3,3-dimethylpiperazine-2,5-dione
PubChem CID64873816
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-benzyl-6-ethyl-3,3-dimethylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C)C(=O)N1Cc1ccccc1
InChIInChI=1S/C15H20N2O2/c1-4-12-13(18)16-15(2,3)14(19)17(12)10-11-8-6-5-7-9-11/h5-9,12H,4,10H2,1-3H3,(H,16,18)
InChIKeyYDOMLWZMEDQPMT-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-ethyl-3,3-dimethylpiperazine-2,5-dione?
The IUPAC name of 1-benzyl-6-ethyl-3,3-dimethylpiperazine-2,5-dione (CID 64873816) is 1-benzyl-6-ethyl-3,3-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-benzyl-6-ethyl-3,3-dimethylpiperazine-2,5-dione?
The canonical SMILES for 1-benzyl-6-ethyl-3,3-dimethylpiperazine-2,5-dione is CCC1C(=O)NC(C)(C)C(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-6-ethyl-3,3-dimethylpiperazine-2,5-dione?
The InChIKey is YDOMLWZMEDQPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-12-13(18)16-15(2,3)14(19)17(12)10-11-8-6-5-7-9-11/h5-9,12H,4,10H2,1-3H3,(H,16,18).
What are the key properties of 1-benzyl-6-ethyl-3,3-dimethylpiperazine-2,5-dione?
1-benzyl-6-ethyl-3,3-dimethylpiperazine-2,5-dione has a molecular weight of 260.34 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-ethyl-3,3-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 64873816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).