1-ethyl-3,3,6-trimethyl-6-phenylpiperazine-2,5-dione

C15H20N2O2 — CID 64902778

IUPAC1-ethyl-3,3,6-trimethyl-6-phenylpiperazine-2,5-dione
SMILESCCN1C(=O)C(C)(C)NC(=O)C1(C)c1ccccc1
InChIInChI=1S/C15H20N2O2/c1-5-17-13(19)14(2,3)16-12(18)15(17,4)11-9-7-6-8-10-11/h6-10H,5H2,1-4H3,(H,16,18)
InChIKeyXPOUKPNVQVRFEH-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.66
Rot. Bonds2

About 1-ethyl-3,3,6-trimethyl-6-phenylpiperazine-2,5-dione

1-ethyl-3,3,6-trimethyl-6-phenylpiperazine-2,5-dione (PubChem CID 64902778) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-ethyl-3,3,6-trimethyl-6-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-ethyl-3,3,6-trimethyl-6-phenylpiperazine-2,5-dione
PubChem CID64902778
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-ethyl-3,3,6-trimethyl-6-phenylpiperazine-2,5-dione
SMILESCCN1C(=O)C(C)(C)NC(=O)C1(C)c1ccccc1
InChIInChI=1S/C15H20N2O2/c1-5-17-13(19)14(2,3)16-12(18)15(17,4)11-9-7-6-8-10-11/h6-10H,5H2,1-4H3,(H,16,18)
InChIKeyXPOUKPNVQVRFEH-UHFFFAOYSA-N
XLogP1.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-diethyl-3,6-dimethyl-6-phenylpiperazine-2,5-dione
CID 64885693
3-cyclopropyl-1-ethyl-3,6-dimethyl-6-phenylpiperazine-2,5-dione
CID 64886536
3,3,6,6-tetramethyl-1-(3-phenylpropyl)piperazine-2,5-dione
CID 64901606
1-(cyclopropylmethyl)-3-ethyl-6-methyl-6-phenylpiperazine-2,5-dione
CID 64902260
1-butyl-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione
CID 64880416
6,6-diethyl-1,3-dimethyl-3-phenylpiperazine-2,5-dione
CID 64881586
1-benzyl-3-butan-2-yl-6-methyl-6-phenylpiperazine-2,5-dione
CID 64903675
5-methyl-1-(4-methylpentyl)-5-phenylimidazolidine-2,4-dione
CID 83169332
6-ethyl-1-[(2-fluorophenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione
CID 64902761
(4S,5S)-1,3-diethyl-4,5-dihydroxy-4,5-diphenylimidazolidin-2-one
CID 789461
1-(2-fluoroethyl)-6-methyl-6-phenyl-3-propan-2-ylpiperazine-2,5-dione
CID 80697567
3-ethyl-6-methyl-6-phenyl-1-propan-2-ylpiperazine-2,5-dione
CID 64902453

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,3,6-trimethyl-6-phenylpiperazine-2,5-dione?
The IUPAC name of 1-ethyl-3,3,6-trimethyl-6-phenylpiperazine-2,5-dione (CID 64902778) is 1-ethyl-3,3,6-trimethyl-6-phenylpiperazine-2,5-dione.
What is the SMILES notation for 1-ethyl-3,3,6-trimethyl-6-phenylpiperazine-2,5-dione?
The canonical SMILES for 1-ethyl-3,3,6-trimethyl-6-phenylpiperazine-2,5-dione is CCN1C(=O)C(C)(C)NC(=O)C1(C)c1ccccc1.
What is the InChIKey of 1-ethyl-3,3,6-trimethyl-6-phenylpiperazine-2,5-dione?
The InChIKey is XPOUKPNVQVRFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-5-17-13(19)14(2,3)16-12(18)15(17,4)11-9-7-6-8-10-11/h6-10H,5H2,1-4H3,(H,16,18).
What are the key properties of 1-ethyl-3,3,6-trimethyl-6-phenylpiperazine-2,5-dione?
1-ethyl-3,3,6-trimethyl-6-phenylpiperazine-2,5-dione has a molecular weight of 260.34 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,3,6-trimethyl-6-phenylpiperazine-2,5-dione is sourced from PubChem (CID 64902778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).