3-ethyl-6-methyl-1-(4-propan-2-yloxybutyl)piperazine-2,5-dione

C14H26N2O3 — CID 106009140

IUPAC3-ethyl-6-methyl-1-(4-propan-2-yloxybutyl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(C)N(CCCCOC(C)C)C1=O
InChIInChI=1S/C14H26N2O3/c1-5-12-14(18)16(11(4)13(17)15-12)8-6-7-9-19-10(2)3/h10-12H,5-9H2,1-4H3,(H,15,17)
InChIKeyDPVPBHTZTVXBIS-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.32
Rot. Bonds7

About 3-ethyl-6-methyl-1-(4-propan-2-yloxybutyl)piperazine-2,5-dione

3-ethyl-6-methyl-1-(4-propan-2-yloxybutyl)piperazine-2,5-dione (PubChem CID 106009140) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-ethyl-6-methyl-1-(4-propan-2-yloxybutyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-6-methyl-1-(4-propan-2-yloxybutyl)piperazine-2,5-dione
PubChem CID106009140
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-ethyl-6-methyl-1-(4-propan-2-yloxybutyl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(C)N(CCCCOC(C)C)C1=O
InChIInChI=1S/C14H26N2O3/c1-5-12-14(18)16(11(4)13(17)15-12)8-6-7-9-19-10(2)3/h10-12H,5-9H2,1-4H3,(H,15,17)
InChIKeyDPVPBHTZTVXBIS-UHFFFAOYSA-N
XLogP1.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-6-propan-2-yl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione
CID 64901074
3-ethyl-6-methyl-1-(4-phenylbutyl)piperazine-2,5-dione
CID 114334980
1-(3-ethoxypropyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64959221
3-ethyl-6-methyl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione
CID 106733546
5-butyl-3-(4-propan-2-yloxybutyl)-2-propylimidazolidin-4-one
CID 106011093
3-ethyl-6-(2-methylpropyl)-1-pentylpiperazine-2,5-dione
CID 64901650
3-ethyl-6-methyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione
CID 64902587
6-methyl-1-[2-(3-methylbutoxy)ethyl]-3-propylpiperazine-2,5-dione
CID 64872765
5-methyl-6-(4-propan-2-yloxybutyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 114137001
3-ethyl-6-methyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione
CID 114619332
6-cyclopropyl-3-ethyl-1-hexylpiperazine-2,5-dione
CID 64902231
5-ethyl-2-(2-methylpropyl)-3-(2-propan-2-yloxyethyl)imidazolidin-4-one
CID 104767635

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methyl-1-(4-propan-2-yloxybutyl)piperazine-2,5-dione?
The IUPAC name of 3-ethyl-6-methyl-1-(4-propan-2-yloxybutyl)piperazine-2,5-dione (CID 106009140) is 3-ethyl-6-methyl-1-(4-propan-2-yloxybutyl)piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-6-methyl-1-(4-propan-2-yloxybutyl)piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-6-methyl-1-(4-propan-2-yloxybutyl)piperazine-2,5-dione is CCC1NC(=O)C(C)N(CCCCOC(C)C)C1=O.
What is the InChIKey of 3-ethyl-6-methyl-1-(4-propan-2-yloxybutyl)piperazine-2,5-dione?
The InChIKey is DPVPBHTZTVXBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-12-14(18)16(11(4)13(17)15-12)8-6-7-9-19-10(2)3/h10-12H,5-9H2,1-4H3,(H,15,17).
What are the key properties of 3-ethyl-6-methyl-1-(4-propan-2-yloxybutyl)piperazine-2,5-dione?
3-ethyl-6-methyl-1-(4-propan-2-yloxybutyl)piperazine-2,5-dione has a molecular weight of 270.37 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methyl-1-(4-propan-2-yloxybutyl)piperazine-2,5-dione is sourced from PubChem (CID 106009140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).