1-(3-ethoxypropyl)-3,3-diethyl-6-propylpiperazine-2,5-dione

C16H30N2O3 — CID 65178420

IUPAC1-(3-ethoxypropyl)-3,3-diethyl-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(CC)(CC)C(=O)N1CCCOCC
InChIInChI=1S/C16H30N2O3/c1-5-10-13-14(19)17-16(6-2,7-3)15(20)18(13)11-9-12-21-8-4/h13H,5-12H2,1-4H3,(H,17,19)
InChIKeyVAEDLSAIWJAQND-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.10
Rot. Bonds9

About 1-(3-ethoxypropyl)-3,3-diethyl-6-propylpiperazine-2,5-dione

1-(3-ethoxypropyl)-3,3-diethyl-6-propylpiperazine-2,5-dione (PubChem CID 65178420) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-3,3-diethyl-6-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-3,3-diethyl-6-propylpiperazine-2,5-dione
PubChem CID65178420
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name1-(3-ethoxypropyl)-3,3-diethyl-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(CC)(CC)C(=O)N1CCCOCC
InChIInChI=1S/C16H30N2O3/c1-5-10-13-14(19)17-16(6-2,7-3)15(20)18(13)11-9-12-21-8-4/h13H,5-12H2,1-4H3,(H,17,19)
InChIKeyVAEDLSAIWJAQND-UHFFFAOYSA-N
XLogP2.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.10
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

3,3-diethyl-1,6-dipropylpiperazine-2,5-dione
CID 64886735
1-(3-ethoxypropyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64959171
9-(2-ethoxyethyl)-8-propyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64887608
3,3-diethyl-1-prop-2-enyl-6-propylpiperazine-2,5-dione
CID 64886736
1-(3-ethoxypropyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
CID 65177926
3,3-diethyl-6-(2-methylpropyl)-1-propylpiperazine-2,5-dione
CID 64884826
1-(2-cyclopentylethyl)-3,3,6-triethylpiperazine-2,5-dione
CID 64964115
3-ethyl-1-(2-methoxyethyl)-3-methyl-6-propylpiperazine-2,5-dione
CID 64886432
1-butyl-3-cyclopropyl-3-methyl-6-propylpiperazine-2,5-dione
CID 64887854
3,3-diethyl-6-methyl-1-(2-propoxyethyl)piperazine-2,5-dione
CID 106459079
9-(4-methoxybutyl)-8-propyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 104650420
3,3-dimethyl-6-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione
CID 64901967

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-3,3-diethyl-6-propylpiperazine-2,5-dione?
The IUPAC name of 1-(3-ethoxypropyl)-3,3-diethyl-6-propylpiperazine-2,5-dione (CID 65178420) is 1-(3-ethoxypropyl)-3,3-diethyl-6-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3-ethoxypropyl)-3,3-diethyl-6-propylpiperazine-2,5-dione?
The canonical SMILES for 1-(3-ethoxypropyl)-3,3-diethyl-6-propylpiperazine-2,5-dione is CCCC1C(=O)NC(CC)(CC)C(=O)N1CCCOCC.
What is the InChIKey of 1-(3-ethoxypropyl)-3,3-diethyl-6-propylpiperazine-2,5-dione?
The InChIKey is VAEDLSAIWJAQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-5-10-13-14(19)17-16(6-2,7-3)15(20)18(13)11-9-12-21-8-4/h13H,5-12H2,1-4H3,(H,17,19).
What are the key properties of 1-(3-ethoxypropyl)-3,3-diethyl-6-propylpiperazine-2,5-dione?
1-(3-ethoxypropyl)-3,3-diethyl-6-propylpiperazine-2,5-dione has a molecular weight of 298.43 g/mol, XLogP of 2.10, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-3,3-diethyl-6-propylpiperazine-2,5-dione is sourced from PubChem (CID 65178420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).