3-ethyl-1-(3-methylbutan-2-yl)-6-propan-2-ylpiperazine-2,5-dione

C14H26N2O2 — CID 64959747

IUPAC3-ethyl-1-(3-methylbutan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C(C)C)N(C(C)C(C)C)C1=O
InChIInChI=1S/C14H26N2O2/c1-7-11-14(18)16(10(6)8(2)3)12(9(4)5)13(17)15-11/h8-12H,7H2,1-6H3,(H,15,17)
InChIKeyFLGRYJHGOSAAQN-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.79
Rot. Bonds4

About 3-ethyl-1-(3-methylbutan-2-yl)-6-propan-2-ylpiperazine-2,5-dione

3-ethyl-1-(3-methylbutan-2-yl)-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 64959747) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-ethyl-1-(3-methylbutan-2-yl)-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-(3-methylbutan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
PubChem CID64959747
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3-ethyl-1-(3-methylbutan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C(C)C)N(C(C)C(C)C)C1=O
InChIInChI=1S/C14H26N2O2/c1-7-11-14(18)16(10(6)8(2)3)12(9(4)5)13(17)15-11/h8-12H,7H2,1-6H3,(H,15,17)
InChIKeyFLGRYJHGOSAAQN-UHFFFAOYSA-N
XLogP1.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-1-(3-methylbutan-2-yl)-6-propan-2-ylpiperazine-2,5-dione with MolForge

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Related Compounds

3-ethyl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione
CID 64969006
3-ethyl-1-(4-methoxybutan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 64973083
1-(3-ethylpentan-2-yl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64971646
3-ethyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64901263
3-ethyl-6-propan-2-yl-1-(2,2,3,3-tetramethylcyclopropyl)piperazine-2,5-dione
CID 79351077
3-ethyl-6-propan-2-yl-1-prop-2-ynylpiperazine-2,5-dione
CID 64963679
1-pentan-2-yl-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64957236
1-(3,5-dimethylcyclohexyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione
CID 64973712
3-ethyl-6-propan-2-yl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione
CID 64901074
3-ethyl-1-(2-methyl-3-methylsulfanylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64972041
3-ethyl-1-(1-methylcyclohexyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64968282
3-ethyl-6-propan-2-yl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione
CID 106733557

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-methylbutan-2-yl)-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3-ethyl-1-(3-methylbutan-2-yl)-6-propan-2-ylpiperazine-2,5-dione (CID 64959747) is 3-ethyl-1-(3-methylbutan-2-yl)-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-(3-methylbutan-2-yl)-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3-ethyl-1-(3-methylbutan-2-yl)-6-propan-2-ylpiperazine-2,5-dione is CCC1NC(=O)C(C(C)C)N(C(C)C(C)C)C1=O.
What is the InChIKey of 3-ethyl-1-(3-methylbutan-2-yl)-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is FLGRYJHGOSAAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-7-11-14(18)16(10(6)8(2)3)12(9(4)5)13(17)15-11/h8-12H,7H2,1-6H3,(H,15,17).
What are the key properties of 3-ethyl-1-(3-methylbutan-2-yl)-6-propan-2-ylpiperazine-2,5-dione?
3-ethyl-1-(3-methylbutan-2-yl)-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 254.37 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-methylbutan-2-yl)-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64959747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).