1-[2-(2-methoxyethoxy)ethyl]-3-propylpiperazine-2,5-dione

C12H22N2O4 — CID 64880934

IUPAC1-[2-(2-methoxyethoxy)ethyl]-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(CCOCCOC)C1=O
InChIInChI=1S/C12H22N2O4/c1-3-4-10-12(16)14(9-11(15)13-10)5-6-18-8-7-17-2/h10H,3-9H2,1-2H3,(H,13,15)
InChIKeyFJDQPCIQPBDSJC-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.22
Rot. Bonds8

About 1-[2-(2-methoxyethoxy)ethyl]-3-propylpiperazine-2,5-dione

1-[2-(2-methoxyethoxy)ethyl]-3-propylpiperazine-2,5-dione (PubChem CID 64880934) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)ethyl]-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)ethyl]-3-propylpiperazine-2,5-dione
PubChem CID64880934
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name1-[2-(2-methoxyethoxy)ethyl]-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(CCOCCOC)C1=O
InChIInChI=1S/C12H22N2O4/c1-3-4-10-12(16)14(9-11(15)13-10)5-6-18-8-7-17-2/h10H,3-9H2,1-2H3,(H,13,15)
InChIKeyFJDQPCIQPBDSJC-UHFFFAOYSA-N
XLogP-0.22
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.22
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-(3-methoxypropyl)-3-propylpiperazine-2,5-dione
CID 64879793
1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione
CID 64880925
3-tert-butyl-1-[2-(2-methoxyethoxy)ethyl]piperazine-2,5-dione
CID 64880764
1-butyl-3-propylpiperazine-2,5-dione
CID 64879982
1,3-bis(3-methoxypropyl)piperazine-2,5-dione
CID 174909939
1-[3-(2-methoxyethoxy)propyl]-7-methyl-3-propyl-1,4-diazepane-2,5-dione
CID 103414916
1-[2-(4-bromophenoxy)ethyl]-3-propylpiperazine-2,5-dione
CID 64879037
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazolidine-2,4-dione
CID 113427526
1-[2-(3-methoxypropoxy)ethyl]-3-propan-2-ylpiperazine-2,5-dione
CID 103184685
1-(2-tert-butylsulfonylethyl)-3-propylpiperazine-2,5-dione
CID 106733709
1-(2-methoxyethyl)-7-methyl-3-propyl-1,4-diazepane-2,5-dione
CID 64882619
3-[2-(2-methoxyethoxy)ethyl]-5-methylimidazolidin-4-one
CID 83256580

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)ethyl]-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-[2-(2-methoxyethoxy)ethyl]-3-propylpiperazine-2,5-dione (CID 64880934) is 1-[2-(2-methoxyethoxy)ethyl]-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)ethyl]-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-[2-(2-methoxyethoxy)ethyl]-3-propylpiperazine-2,5-dione is CCCC1NC(=O)CN(CCOCCOC)C1=O.
What is the InChIKey of 1-[2-(2-methoxyethoxy)ethyl]-3-propylpiperazine-2,5-dione?
The InChIKey is FJDQPCIQPBDSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-3-4-10-12(16)14(9-11(15)13-10)5-6-18-8-7-17-2/h10H,3-9H2,1-2H3,(H,13,15).
What are the key properties of 1-[2-(2-methoxyethoxy)ethyl]-3-propylpiperazine-2,5-dione?
1-[2-(2-methoxyethoxy)ethyl]-3-propylpiperazine-2,5-dione has a molecular weight of 258.32 g/mol, XLogP of -0.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)ethyl]-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64880934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).