1-(2-tert-butylphenyl)-6-ethyl-3-methylpiperazine-2,5-dione

C17H24N2O2 — CID 64972240

IUPAC1-(2-tert-butylphenyl)-6-ethyl-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)C(=O)N1c1ccccc1C(C)(C)C
InChIInChI=1S/C17H24N2O2/c1-6-13-15(20)18-11(2)16(21)19(13)14-10-8-7-9-12(14)17(3,4)5/h7-11,13H,6H2,1-5H3,(H,18,20)
InChIKeyRKQONBIJXFWNBR-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.61
Rot. Bonds2

About 1-(2-tert-butylphenyl)-6-ethyl-3-methylpiperazine-2,5-dione

1-(2-tert-butylphenyl)-6-ethyl-3-methylpiperazine-2,5-dione (PubChem CID 64972240) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-6-ethyl-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-6-ethyl-3-methylpiperazine-2,5-dione
PubChem CID64972240
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-(2-tert-butylphenyl)-6-ethyl-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)C(=O)N1c1ccccc1C(C)(C)C
InChIInChI=1S/C17H24N2O2/c1-6-13-15(20)18-11(2)16(21)19(13)14-10-8-7-9-12(14)17(3,4)5/h7-11,13H,6H2,1-5H3,(H,18,20)
InChIKeyRKQONBIJXFWNBR-UHFFFAOYSA-N
XLogP2.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)-6-ethyl-3-methylpiperazine-2,5-dione?
The IUPAC name of 1-(2-tert-butylphenyl)-6-ethyl-3-methylpiperazine-2,5-dione (CID 64972240) is 1-(2-tert-butylphenyl)-6-ethyl-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-tert-butylphenyl)-6-ethyl-3-methylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-tert-butylphenyl)-6-ethyl-3-methylpiperazine-2,5-dione is CCC1C(=O)NC(C)C(=O)N1c1ccccc1C(C)(C)C.
What is the InChIKey of 1-(2-tert-butylphenyl)-6-ethyl-3-methylpiperazine-2,5-dione?
The InChIKey is RKQONBIJXFWNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-6-13-15(20)18-11(2)16(21)19(13)14-10-8-7-9-12(14)17(3,4)5/h7-11,13H,6H2,1-5H3,(H,18,20).
What are the key properties of 1-(2-tert-butylphenyl)-6-ethyl-3-methylpiperazine-2,5-dione?
1-(2-tert-butylphenyl)-6-ethyl-3-methylpiperazine-2,5-dione has a molecular weight of 288.39 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenyl)-6-ethyl-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64972240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).