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

C17H24N2O2 — CID 64880416

IUPAC1-butyl-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione
SMILESCCCCN1C(=O)C(C)(c2ccccc2)NC(=O)C1(C)C
InChIInChI=1S/C17H24N2O2/c1-5-6-12-19-15(21)17(4,13-10-8-7-9-11-13)18-14(20)16(19,2)3/h7-11H,5-6,12H2,1-4H3,(H,18,20)
InChIKeyXJUDJVDZDXGXIK-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.44
Rot. Bonds4

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

1-butyl-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione (PubChem CID 64880416) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-butyl-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-butyl-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione
PubChem CID64880416
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-butyl-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione
SMILESCCCCN1C(=O)C(C)(c2ccccc2)NC(=O)C1(C)C
InChIInChI=1S/C17H24N2O2/c1-5-6-12-19-15(21)17(4,13-10-8-7-9-11-13)18-14(20)16(19,2)3/h7-11H,5-6,12H2,1-4H3,(H,18,20)
InChIKeyXJUDJVDZDXGXIK-UHFFFAOYSA-N
XLogP2.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxyethyl)-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione
CID 64880418
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
6,6-diethyl-1,3-dimethyl-3-phenylpiperazine-2,5-dione
CID 64881586
3,3,6,6-tetramethyl-1-(3-phenylpropyl)piperazine-2,5-dione
CID 64901606
3-methyl-1-pentyl-3-phenylpiperazine-2,5-dione
CID 64881358
6,6-dimethyl-1-pentyl-3-phenylpiperazine-2,5-dione
CID 64887461
1-benzyl-6-cyclopropyl-3,6-dimethyl-3-phenylpiperazine-2,5-dione
CID 64879072
1-ethyl-3,3,6-trimethyl-6-phenylpiperazine-2,5-dione
CID 64902778
3-bromo-5-methyl-5-phenylimidazolidine-2,4-dione
CID 4609446
2-butyl-4-methyl-4-phenyl-1H-imidazol-5-one;hydrochloride
CID 21466586
3-butyl-2-methyl-2,5-diphenylimidazole-4-thione
CID 110192395

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione?
The IUPAC name of 1-butyl-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione (CID 64880416) is 1-butyl-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione.
What is the SMILES notation for 1-butyl-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione?
The canonical SMILES for 1-butyl-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione is CCCCN1C(=O)C(C)(c2ccccc2)NC(=O)C1(C)C.
What is the InChIKey of 1-butyl-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione?
The InChIKey is XJUDJVDZDXGXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-5-6-12-19-15(21)17(4,13-10-8-7-9-11-13)18-14(20)16(19,2)3/h7-11H,5-6,12H2,1-4H3,(H,18,20).
What are the key properties of 1-butyl-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione?
1-butyl-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione has a molecular weight of 288.39 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione is sourced from PubChem (CID 64880416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).