6,6-diethyl-1,3-dimethyl-3-phenylpiperazine-2,5-dione

C16H22N2O2 — CID 64881586

IUPAC6,6-diethyl-1,3-dimethyl-3-phenylpiperazine-2,5-dione
SMILESCCC1(CC)C(=O)NC(C)(c2ccccc2)C(=O)N1C
InChIInChI=1S/C16H22N2O2/c1-5-16(6-2)13(19)17-15(3,14(20)18(16)4)12-10-8-7-9-11-12/h7-11H,5-6H2,1-4H3,(H,17,19)
InChIKeySCYKVZRDNFHSKK-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.05
Rot. Bonds3

About 6,6-diethyl-1,3-dimethyl-3-phenylpiperazine-2,5-dione

6,6-diethyl-1,3-dimethyl-3-phenylpiperazine-2,5-dione (PubChem CID 64881586) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 6,6-diethyl-1,3-dimethyl-3-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name6,6-diethyl-1,3-dimethyl-3-phenylpiperazine-2,5-dione
PubChem CID64881586
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name6,6-diethyl-1,3-dimethyl-3-phenylpiperazine-2,5-dione
SMILESCCC1(CC)C(=O)NC(C)(c2ccccc2)C(=O)N1C
InChIInChI=1S/C16H22N2O2/c1-5-16(6-2)13(19)17-15(3,14(20)18(16)4)12-10-8-7-9-11-12/h7-11H,5-6H2,1-4H3,(H,17,19)
InChIKeySCYKVZRDNFHSKK-UHFFFAOYSA-N
XLogP2.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione
CID 64880416
(5S)-5-ethyl-1-methyl-5-phenylimidazolidine-2,4-dione
CID 45095321
1-(2-methoxyethyl)-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione
CID 64880418
3-bromo-5-methyl-5-phenylimidazolidine-2,4-dione
CID 4609446
1-(2,2-difluoroethyl)-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione
CID 64880613
1-[(E)-but-2-enyl]-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione
CID 107898396
1,3-diethyl-3,6-dimethyl-6-phenylpiperazine-2,5-dione
CID 64885693
5-methyl-3-[2-(4-nitrophenyl)ethyl]-5-phenylimidazolidine-2,4-dione
CID 10664801
3-methyl-1-pentyl-3-phenylpiperazine-2,5-dione
CID 64881358
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)propanamide
CID 47099545
1-ethyl-3,3,6-trimethyl-6-phenylpiperazine-2,5-dione
CID 64902778
5-methyl-5-phenyl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 59370424

Frequently Asked Questions

What is the IUPAC name of 6,6-diethyl-1,3-dimethyl-3-phenylpiperazine-2,5-dione?
The IUPAC name of 6,6-diethyl-1,3-dimethyl-3-phenylpiperazine-2,5-dione (CID 64881586) is 6,6-diethyl-1,3-dimethyl-3-phenylpiperazine-2,5-dione.
What is the SMILES notation for 6,6-diethyl-1,3-dimethyl-3-phenylpiperazine-2,5-dione?
The canonical SMILES for 6,6-diethyl-1,3-dimethyl-3-phenylpiperazine-2,5-dione is CCC1(CC)C(=O)NC(C)(c2ccccc2)C(=O)N1C.
What is the InChIKey of 6,6-diethyl-1,3-dimethyl-3-phenylpiperazine-2,5-dione?
The InChIKey is SCYKVZRDNFHSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-5-16(6-2)13(19)17-15(3,14(20)18(16)4)12-10-8-7-9-11-12/h7-11H,5-6H2,1-4H3,(H,17,19).
What are the key properties of 6,6-diethyl-1,3-dimethyl-3-phenylpiperazine-2,5-dione?
6,6-diethyl-1,3-dimethyl-3-phenylpiperazine-2,5-dione has a molecular weight of 274.36 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-diethyl-1,3-dimethyl-3-phenylpiperazine-2,5-dione is sourced from PubChem (CID 64881586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).