3-ethyl-1-(4-propan-2-ylphenyl)piperazine-2,5-dione

C15H20N2O2 — CID 64956470

IUPAC3-ethyl-1-(4-propan-2-ylphenyl)piperazine-2,5-dione
SMILESCCC1NC(=O)CN(c2ccc(C(C)C)cc2)C1=O
InChIInChI=1S/C15H20N2O2/c1-4-13-15(19)17(9-14(18)16-13)12-7-5-11(6-8-12)10(2)3/h5-8,10,13H,4,9H2,1-3H3,(H,16,18)
InChIKeySUCZGKFCBTUQCE-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.05
Rot. Bonds3

About 3-ethyl-1-(4-propan-2-ylphenyl)piperazine-2,5-dione

3-ethyl-1-(4-propan-2-ylphenyl)piperazine-2,5-dione (PubChem CID 64956470) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-ethyl-1-(4-propan-2-ylphenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-(4-propan-2-ylphenyl)piperazine-2,5-dione
PubChem CID64956470
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-ethyl-1-(4-propan-2-ylphenyl)piperazine-2,5-dione
SMILESCCC1NC(=O)CN(c2ccc(C(C)C)cc2)C1=O
InChIInChI=1S/C15H20N2O2/c1-4-13-15(19)17(9-14(18)16-13)12-7-5-11(6-8-12)10(2)3/h5-8,10,13H,4,9H2,1-3H3,(H,16,18)
InChIKeySUCZGKFCBTUQCE-UHFFFAOYSA-N
XLogP2.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine-2,5-dione
CID 64879994
3-ethyl-1-(3-fluoro-4-methylphenyl)piperazine-2,5-dione
CID 64958384
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethylpiperazine-2,5-dione
CID 64957687
1-(1,3-benzodioxol-5-yl)-3-ethylpiperazine-2,5-dione
CID 64959422
3-ethyl-1-(3-propan-2-ylphenyl)-1,4-diazepane-2,5-dione
CID 64959856
1-[3-(dimethylamino)phenyl]-3-ethylpiperazine-2,5-dione
CID 115379421
1-(1,3-benzothiazol-6-yl)-3-ethylpiperazine-2,5-dione
CID 107806702
1-(2,3-dichlorophenyl)-3-ethylpiperazine-2,5-dione
CID 64962337
3-ethyl-1-(1-pyridin-2-ylethyl)piperazine-2,5-dione
CID 64963137
(4aR,7aR)-6,6-dioxo-1-(4-propan-2-ylphenyl)-2,4,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-3-one
CID 11913839
1-(3-bromo-4-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64970831
3-ethyl-1-[2-(trifluoromethyl)phenyl]piperazine-2,5-dione
CID 64956531

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-propan-2-ylphenyl)piperazine-2,5-dione?
The IUPAC name of 3-ethyl-1-(4-propan-2-ylphenyl)piperazine-2,5-dione (CID 64956470) is 3-ethyl-1-(4-propan-2-ylphenyl)piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-(4-propan-2-ylphenyl)piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-1-(4-propan-2-ylphenyl)piperazine-2,5-dione is CCC1NC(=O)CN(c2ccc(C(C)C)cc2)C1=O.
What is the InChIKey of 3-ethyl-1-(4-propan-2-ylphenyl)piperazine-2,5-dione?
The InChIKey is SUCZGKFCBTUQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-13-15(19)17(9-14(18)16-13)12-7-5-11(6-8-12)10(2)3/h5-8,10,13H,4,9H2,1-3H3,(H,16,18).
What are the key properties of 3-ethyl-1-(4-propan-2-ylphenyl)piperazine-2,5-dione?
3-ethyl-1-(4-propan-2-ylphenyl)piperazine-2,5-dione has a molecular weight of 260.34 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 3-ethyl-1-(4-propan-2-ylphenyl)piperazine-2,5-dione is sourced from PubChem (CID 64956470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).