6-butan-2-yl-1-[2-(3-methoxypropoxy)ethyl]piperazine-2,5-dione

C14H26N2O4 — CID 103184675

IUPAC6-butan-2-yl-1-[2-(3-methoxypropoxy)ethyl]piperazine-2,5-dione
SMILESCCC(C)C1C(=O)NCC(=O)N1CCOCCCOC
InChIInChI=1S/C14H26N2O4/c1-4-11(2)13-14(18)15-10-12(17)16(13)6-9-20-8-5-7-19-3/h11,13H,4-10H2,1-3H3,(H,15,18)
InChIKeyNSBNYUDVEGXKFG-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.41
Rot. Bonds9

About 6-butan-2-yl-1-[2-(3-methoxypropoxy)ethyl]piperazine-2,5-dione

6-butan-2-yl-1-[2-(3-methoxypropoxy)ethyl]piperazine-2,5-dione (PubChem CID 103184675) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 6-butan-2-yl-1-[2-(3-methoxypropoxy)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name6-butan-2-yl-1-[2-(3-methoxypropoxy)ethyl]piperazine-2,5-dione
PubChem CID103184675
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name6-butan-2-yl-1-[2-(3-methoxypropoxy)ethyl]piperazine-2,5-dione
SMILESCCC(C)C1C(=O)NCC(=O)N1CCOCCCOC
InChIInChI=1S/C14H26N2O4/c1-4-11(2)13-14(18)15-10-12(17)16(13)6-9-20-8-5-7-19-3/h11,13H,4-10H2,1-3H3,(H,15,18)
InChIKeyNSBNYUDVEGXKFG-UHFFFAOYSA-N
XLogP0.41
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-butan-2-yl-1-[2-(3-methoxypropoxy)ethyl]piperazine-2,5-dione with MolForge

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Related Compounds

6-butan-2-yl-1-(2-butoxyethyl)piperazine-2,5-dione
CID 64881224
6-butan-2-yl-1-heptylpiperazine-2,5-dione
CID 64880448
6-ethyl-1-(4-methoxybutyl)piperazine-2,5-dione
CID 64967343
1-[2-(3-methylbutoxy)ethyl]-6-(2-methylpropyl)piperazine-2,5-dione
CID 64880073
6-butan-2-yl-3-tert-butyl-1-(3-methoxypropyl)piperazine-2,5-dione
CID 64902272
1-[2-(3-methoxypropoxy)ethyl]piperazine-2,5-dione
CID 103184626
6-butan-2-yl-1-(pyridin-4-ylmethyl)piperazine-2,5-dione
CID 64880841
6-butan-2-yl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione
CID 82870671
6-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione
CID 64880047
6-butan-2-yl-3-ethyl-1-(3-methoxypropyl)-3-methylpiperazine-2,5-dione
CID 64886435
1-(2-butoxyethyl)-7-methyl-1,4-diazepane-2,5-dione
CID 64883186
3-[2-(2-methoxyethoxy)ethyl]-2-propylimidazolidin-4-one
CID 83255942

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-1-[2-(3-methoxypropoxy)ethyl]piperazine-2,5-dione?
The IUPAC name of 6-butan-2-yl-1-[2-(3-methoxypropoxy)ethyl]piperazine-2,5-dione (CID 103184675) is 6-butan-2-yl-1-[2-(3-methoxypropoxy)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 6-butan-2-yl-1-[2-(3-methoxypropoxy)ethyl]piperazine-2,5-dione?
The canonical SMILES for 6-butan-2-yl-1-[2-(3-methoxypropoxy)ethyl]piperazine-2,5-dione is CCC(C)C1C(=O)NCC(=O)N1CCOCCCOC.
What is the InChIKey of 6-butan-2-yl-1-[2-(3-methoxypropoxy)ethyl]piperazine-2,5-dione?
The InChIKey is NSBNYUDVEGXKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-4-11(2)13-14(18)15-10-12(17)16(13)6-9-20-8-5-7-19-3/h11,13H,4-10H2,1-3H3,(H,15,18).
What are the key properties of 6-butan-2-yl-1-[2-(3-methoxypropoxy)ethyl]piperazine-2,5-dione?
6-butan-2-yl-1-[2-(3-methoxypropoxy)ethyl]piperazine-2,5-dione has a molecular weight of 286.37 g/mol, XLogP of 0.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-1-[2-(3-methoxypropoxy)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 103184675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).