3,3-diethyl-1-(2-propylphenyl)piperazine-2,5-dione

C17H24N2O2 — CID 64966229

IUPAC3,3-diethyl-1-(2-propylphenyl)piperazine-2,5-dione
SMILESCCCc1ccccc1N1CC(=O)NC(CC)(CC)C1=O
InChIInChI=1S/C17H24N2O2/c1-4-9-13-10-7-8-11-14(13)19-12-15(20)18-17(5-2,6-3)16(19)21/h7-8,10-11H,4-6,9,12H2,1-3H3,(H,18,20)
InChIKeyRZIOOFSHAOFTNH-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.66
Rot. Bonds5

About 3,3-diethyl-1-(2-propylphenyl)piperazine-2,5-dione

3,3-diethyl-1-(2-propylphenyl)piperazine-2,5-dione (PubChem CID 64966229) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3,3-diethyl-1-(2-propylphenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,3-diethyl-1-(2-propylphenyl)piperazine-2,5-dione
PubChem CID64966229
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3,3-diethyl-1-(2-propylphenyl)piperazine-2,5-dione
SMILESCCCc1ccccc1N1CC(=O)NC(CC)(CC)C1=O
InChIInChI=1S/C17H24N2O2/c1-4-9-13-10-7-8-11-14(13)19-12-15(20)18-17(5-2,6-3)16(19)21/h7-8,10-11H,4-6,9,12H2,1-3H3,(H,18,20)
InChIKeyRZIOOFSHAOFTNH-UHFFFAOYSA-N
XLogP2.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-methoxyethyl)phenyl]-3,3-dimethylpiperazine-2,5-dione
CID 102908577
1-(2-bromo-4-methylphenyl)-3,3-diethylpiperazine-2,5-dione
CID 64961939
1-(2-chloro-5-fluorophenyl)-3,3-diethylpiperazine-2,5-dione
CID 107531646
3,3-diethyl-1-(3-fluorophenyl)piperazine-2,5-dione
CID 64955543
1-[2-(2-methoxyethyl)phenyl]imidazolidine-2,4-dione
CID 102908683
3-propan-2-yl-1-(2-propylphenyl)-1,4-diazepane-2,5-dione
CID 64966192
1-(3-bromo-5-methoxyphenyl)-3,3-diethylpiperazine-2,5-dione
CID 82860799
1-(1-benzothiophen-5-yl)-3,3-diethylpiperazine-2,5-dione
CID 65452546
3,3-diethyl-1-(4-methyl-3-pyridinyl)-1,4-diazepane-2,5-dione
CID 64970779
1-[2-(isocyanatomethyl)phenyl]piperazine-2,5-dione
CID 117364388
3,3-diethyl-1-(4-methylpentyl)piperazine-2,5-dione
CID 64969958
1-[2-(2-piperazin-1-ylethyl)phenyl]piperazine-2,5-dione
CID 117487248

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-(2-propylphenyl)piperazine-2,5-dione?
The IUPAC name of 3,3-diethyl-1-(2-propylphenyl)piperazine-2,5-dione (CID 64966229) is 3,3-diethyl-1-(2-propylphenyl)piperazine-2,5-dione.
What is the SMILES notation for 3,3-diethyl-1-(2-propylphenyl)piperazine-2,5-dione?
The canonical SMILES for 3,3-diethyl-1-(2-propylphenyl)piperazine-2,5-dione is CCCc1ccccc1N1CC(=O)NC(CC)(CC)C1=O.
What is the InChIKey of 3,3-diethyl-1-(2-propylphenyl)piperazine-2,5-dione?
The InChIKey is RZIOOFSHAOFTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-9-13-10-7-8-11-14(13)19-12-15(20)18-17(5-2,6-3)16(19)21/h7-8,10-11H,4-6,9,12H2,1-3H3,(H,18,20).
What are the key properties of 3,3-diethyl-1-(2-propylphenyl)piperazine-2,5-dione?
3,3-diethyl-1-(2-propylphenyl)piperazine-2,5-dione has a molecular weight of 288.39 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-(2-propylphenyl)piperazine-2,5-dione is sourced from PubChem (CID 64966229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).