3-butan-2-yl-1-(3-ethylphenyl)piperazine-2,5-dione

C16H22N2O2 — CID 64959213

IUPAC3-butan-2-yl-1-(3-ethylphenyl)piperazine-2,5-dione
SMILESCCc1cccc(N2CC(=O)NC(C(C)CC)C2=O)c1
InChIInChI=1S/C16H22N2O2/c1-4-11(3)15-16(20)18(10-14(19)17-15)13-8-6-7-12(5-2)9-13/h6-9,11,15H,4-5,10H2,1-3H3,(H,17,19)
InChIKeyRZYABUOVUZYVGD-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.13
Rot. Bonds4

About 3-butan-2-yl-1-(3-ethylphenyl)piperazine-2,5-dione

3-butan-2-yl-1-(3-ethylphenyl)piperazine-2,5-dione (PubChem CID 64959213) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-butan-2-yl-1-(3-ethylphenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-1-(3-ethylphenyl)piperazine-2,5-dione
PubChem CID64959213
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-butan-2-yl-1-(3-ethylphenyl)piperazine-2,5-dione
SMILESCCc1cccc(N2CC(=O)NC(C(C)CC)C2=O)c1
InChIInChI=1S/C16H22N2O2/c1-4-11(3)15-16(20)18(10-14(19)17-15)13-8-6-7-12(5-2)9-13/h6-9,11,15H,4-5,10H2,1-3H3,(H,17,19)
InChIKeyRZYABUOVUZYVGD-UHFFFAOYSA-N
XLogP2.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-butan-2-yl-1-(2,6-difluorophenyl)piperazine-2,5-dione
CID 64960024
1-(4-bromo-3,5-dimethylphenyl)-3-butan-2-ylpiperazine-2,5-dione
CID 107580171
3-butan-2-yl-1-thiophen-3-ylpiperazine-2,5-dione
CID 66355639
3-butan-2-yl-1-(4-fluoro-3-methoxyphenyl)piperazine-2,5-dione
CID 114840990
3-butan-2-yl-1-(1-methylpyrazol-4-yl)piperazine-2,5-dione
CID 64960454
3-butan-2-yl-1-(2-chlorophenyl)piperazine-2,5-dione
CID 64962602
1-(3-ethylphenyl)-3-methyl-1,4-diazepane-2,5-dione
CID 64959166
1-phenyl-3-propan-2-ylpiperazine-2,5-dione
CID 64958767
3-bromo-1-(3-ethylphenyl)pyrrolidin-2-one
CID 63789981
3-butan-2-yl-1-methylpiperazine-2,5-dione
CID 64880533
3-butan-2-yl-1-[1-(furan-2-yl)ethyl]piperazine-2,5-dione
CID 64961132
3-butan-2-yl-1-(2-chloro-5-fluorophenyl)piperazine-2,5-dione
CID 107531624

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-(3-ethylphenyl)piperazine-2,5-dione?
The IUPAC name of 3-butan-2-yl-1-(3-ethylphenyl)piperazine-2,5-dione (CID 64959213) is 3-butan-2-yl-1-(3-ethylphenyl)piperazine-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-1-(3-ethylphenyl)piperazine-2,5-dione?
The canonical SMILES for 3-butan-2-yl-1-(3-ethylphenyl)piperazine-2,5-dione is CCc1cccc(N2CC(=O)NC(C(C)CC)C2=O)c1.
What is the InChIKey of 3-butan-2-yl-1-(3-ethylphenyl)piperazine-2,5-dione?
The InChIKey is RZYABUOVUZYVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-11(3)15-16(20)18(10-14(19)17-15)13-8-6-7-12(5-2)9-13/h6-9,11,15H,4-5,10H2,1-3H3,(H,17,19).
What are the key properties of 3-butan-2-yl-1-(3-ethylphenyl)piperazine-2,5-dione?
3-butan-2-yl-1-(3-ethylphenyl)piperazine-2,5-dione has a molecular weight of 274.36 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-(3-ethylphenyl)piperazine-2,5-dione is sourced from PubChem (CID 64959213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).