1-(4-tert-butylphenyl)-3-ethyl-6-methylpiperazine-2,5-dione

C17H24N2O2 — CID 64956453

IUPAC1-(4-tert-butylphenyl)-3-ethyl-6-methylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C)N(c2ccc(C(C)(C)C)cc2)C1=O
InChIInChI=1S/C17H24N2O2/c1-6-14-16(21)19(11(2)15(20)18-14)13-9-7-12(8-10-13)17(3,4)5/h7-11,14H,6H2,1-5H3,(H,18,20)
InChIKeyWPZMKWVZEPSDAP-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.61
Rot. Bonds2

About 1-(4-tert-butylphenyl)-3-ethyl-6-methylpiperazine-2,5-dione

1-(4-tert-butylphenyl)-3-ethyl-6-methylpiperazine-2,5-dione (PubChem CID 64956453) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-ethyl-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-ethyl-6-methylpiperazine-2,5-dione
PubChem CID64956453
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-(4-tert-butylphenyl)-3-ethyl-6-methylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C)N(c2ccc(C(C)(C)C)cc2)C1=O
InChIInChI=1S/C17H24N2O2/c1-6-14-16(21)19(11(2)15(20)18-14)13-9-7-12(8-10-13)17(3,4)5/h7-11,14H,6H2,1-5H3,(H,18,20)
InChIKeyWPZMKWVZEPSDAP-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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Related Compounds

3-ethyl-1-(4-methoxyphenyl)-6-methylpiperazine-2,5-dione
CID 64955852
3-ethyl-6-methyl-1-(4-methylsulfanylphenyl)piperazine-2,5-dione
CID 64962189
1-(3,4-difluorophenyl)-3-ethyl-6-methylpiperazine-2,5-dione
CID 64957775
6-methyl-1-(4-methylphenyl)-3-propylpiperazine-2,5-dione
CID 64959354
1-(4-bromophenyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 64962386
1-(1-benzothiophen-5-yl)-3-ethyl-6-methylpiperazine-2,5-dione
CID 65451321
1-(3-chloro-5-fluorophenyl)-3-ethyl-6-methylpiperazine-2,5-dione
CID 107370923
1-(3-ethoxyphenyl)-3-ethyl-6-methylpiperazine-2,5-dione
CID 64966817
1-(1,3-dimethylpyrazol-4-yl)-3-ethyl-6-methylpiperazine-2,5-dione
CID 102807639
3-ethyl-1-(4-methoxy-2-methylphenyl)-6-methylpiperazine-2,5-dione
CID 64970204
1-(4-bromo-2,5-difluorophenyl)-3-ethyl-6-methylpiperazine-2,5-dione
CID 107608196
3-ethyl-6-methyl-1-(2-methylbut-3-yn-2-yl)piperazine-2,5-dione
CID 64972480

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-ethyl-6-methylpiperazine-2,5-dione?
The IUPAC name of 1-(4-tert-butylphenyl)-3-ethyl-6-methylpiperazine-2,5-dione (CID 64956453) is 1-(4-tert-butylphenyl)-3-ethyl-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-ethyl-6-methylpiperazine-2,5-dione?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-ethyl-6-methylpiperazine-2,5-dione is CCC1NC(=O)C(C)N(c2ccc(C(C)(C)C)cc2)C1=O.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-ethyl-6-methylpiperazine-2,5-dione?
The InChIKey is WPZMKWVZEPSDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-6-14-16(21)19(11(2)15(20)18-14)13-9-7-12(8-10-13)17(3,4)5/h7-11,14H,6H2,1-5H3,(H,18,20).
What are the key properties of 1-(4-tert-butylphenyl)-3-ethyl-6-methylpiperazine-2,5-dione?
1-(4-tert-butylphenyl)-3-ethyl-6-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-(4-tert-butylphenyl)-3-ethyl-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 64956453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).