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

C10H18N2O4 — CID 103184626

IUPAC1-[2-(3-methoxypropoxy)ethyl]piperazine-2,5-dione
SMILESCOCCCOCCN1CC(=O)NCC1=O
InChIInChI=1S/C10H18N2O4/c1-15-4-2-5-16-6-3-12-8-9(13)11-7-10(12)14/h2-8H2,1H3,(H,11,13)
InChIKeyNSCMYJUSXUWKOP-UHFFFAOYSA-N
MW230.26 g/mol
LogP-1.00
Rot. Bonds7

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

1-[2-(3-methoxypropoxy)ethyl]piperazine-2,5-dione (PubChem CID 103184626) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 1-[2-(3-methoxypropoxy)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name1-[2-(3-methoxypropoxy)ethyl]piperazine-2,5-dione
PubChem CID103184626
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name1-[2-(3-methoxypropoxy)ethyl]piperazine-2,5-dione
SMILESCOCCCOCCN1CC(=O)NCC1=O
InChIInChI=1S/C10H18N2O4/c1-15-4-2-5-16-6-3-12-8-9(13)11-7-10(12)14/h2-8H2,1H3,(H,11,13)
InChIKeyNSCMYJUSXUWKOP-UHFFFAOYSA-N
XLogP-1.00
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione
CID 64873258
1-[2-(3-methoxypropoxy)ethyl]-3-propan-2-ylpiperazine-2,5-dione
CID 103184685
1-(2-butoxyethyl)-1,4-diazepane-2,5-dione
CID 64882011
1-(2-methoxyethyl)-1,4-diazepane-2,5-dione
CID 64882784
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazolidine-2,4-dione
CID 113427526
1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione
CID 64880925
azane;1-butylpiperazine-2,5-dione
CID 174744496
ethane;1-propylpiperazine-2,5-dione
CID 165138491
1-(4-aminobutyl)piperazine-2,5-dione
CID 54292363
1-(3-phenoxypropyl)piperazine-2,5-dione
CID 64873257
6-butan-2-yl-1-[2-(3-methoxypropoxy)ethyl]piperazine-2,5-dione
CID 103184675
1-[2-(2-methoxyethoxy)ethyl]-3-propylpiperazine-2,5-dione
CID 64880934

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxypropoxy)ethyl]piperazine-2,5-dione?
The IUPAC name of 1-[2-(3-methoxypropoxy)ethyl]piperazine-2,5-dione (CID 103184626) is 1-[2-(3-methoxypropoxy)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 1-[2-(3-methoxypropoxy)ethyl]piperazine-2,5-dione?
The canonical SMILES for 1-[2-(3-methoxypropoxy)ethyl]piperazine-2,5-dione is COCCCOCCN1CC(=O)NCC1=O.
What is the InChIKey of 1-[2-(3-methoxypropoxy)ethyl]piperazine-2,5-dione?
The InChIKey is NSCMYJUSXUWKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-15-4-2-5-16-6-3-12-8-9(13)11-7-10(12)14/h2-8H2,1H3,(H,11,13).
What are the key properties of 1-[2-(3-methoxypropoxy)ethyl]piperazine-2,5-dione?
1-[2-(3-methoxypropoxy)ethyl]piperazine-2,5-dione has a molecular weight of 230.26 g/mol, XLogP of -1.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxypropoxy)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 103184626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).