3-ethyl-3-methyl-1-(3-phenylbutyl)piperazine-2,5-dione

C17H24N2O2 — CID 64970121

IUPAC3-ethyl-3-methyl-1-(3-phenylbutyl)piperazine-2,5-dione
SMILESCCC1(C)NC(=O)CN(CCC(C)c2ccccc2)C1=O
InChIInChI=1S/C17H24N2O2/c1-4-17(3)16(21)19(12-15(20)18-17)11-10-13(2)14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3,(H,18,20)
InChIKeyCPTQOMOHKLWPOD-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.31
Rot. Bonds5

About 3-ethyl-3-methyl-1-(3-phenylbutyl)piperazine-2,5-dione

3-ethyl-3-methyl-1-(3-phenylbutyl)piperazine-2,5-dione (PubChem CID 64970121) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-ethyl-3-methyl-1-(3-phenylbutyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-3-methyl-1-(3-phenylbutyl)piperazine-2,5-dione
PubChem CID64970121
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-ethyl-3-methyl-1-(3-phenylbutyl)piperazine-2,5-dione
SMILESCCC1(C)NC(=O)CN(CCC(C)c2ccccc2)C1=O
InChIInChI=1S/C17H24N2O2/c1-4-17(3)16(21)19(12-15(20)18-17)11-10-13(2)14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3,(H,18,20)
InChIKeyCPTQOMOHKLWPOD-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-3-methyl-1-(2-phenylsulfanylethyl)piperazine-2,5-dione
CID 79223836
3-ethyl-3-methyl-1-(4-methylpentyl)piperazine-2,5-dione
CID 64970582
3-ethyl-1-[(2-ethylphenyl)methyl]-3-methylpiperazine-2,5-dione
CID 64973584
3-ethyl-3-methyl-1-octylpiperazine-2,5-dione
CID 64882721
1-(3-phenylbutyl)-1,4-diazepane-2,5-dione
CID 64969982
3-cyclopropyl-1-(3-phenylbutyl)piperazine-2,5-dione
CID 64969970
1-(3-ethoxypropyl)-3-ethyl-3-methylpiperazine-2,5-dione
CID 64958561
3-ethyl-3-methyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
CID 64882918
3-ethyl-3-methyl-1-(5,5,5-trifluoropentyl)piperazine-2,5-dione
CID 115522526
3-ethyl-3-methyl-1-(2-phenylcyclopropyl)piperazine-2,5-dione
CID 64967320
3-ethyl-3-methyl-1-[1-(4-methylphenyl)ethyl]piperazine-2,5-dione
CID 64966760
3-ethyl-3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperazine-2,5-dione
CID 64970801

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-1-(3-phenylbutyl)piperazine-2,5-dione?
The IUPAC name of 3-ethyl-3-methyl-1-(3-phenylbutyl)piperazine-2,5-dione (CID 64970121) is 3-ethyl-3-methyl-1-(3-phenylbutyl)piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-3-methyl-1-(3-phenylbutyl)piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-3-methyl-1-(3-phenylbutyl)piperazine-2,5-dione is CCC1(C)NC(=O)CN(CCC(C)c2ccccc2)C1=O.
What is the InChIKey of 3-ethyl-3-methyl-1-(3-phenylbutyl)piperazine-2,5-dione?
The InChIKey is CPTQOMOHKLWPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-17(3)16(21)19(12-15(20)18-17)11-10-13(2)14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3,(H,18,20).
What are the key properties of 3-ethyl-3-methyl-1-(3-phenylbutyl)piperazine-2,5-dione?
3-ethyl-3-methyl-1-(3-phenylbutyl)piperazine-2,5-dione has a molecular weight of 288.39 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-1-(3-phenylbutyl)piperazine-2,5-dione is sourced from PubChem (CID 64970121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).