6-cyclopropyl-1-(2-ethoxyethyl)-3-(2-methylpropyl)piperazine-2,5-dione

C15H26N2O3 — CID 64901725

IUPAC6-cyclopropyl-1-(2-ethoxyethyl)-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCCOCCN1C(=O)C(CC(C)C)NC(=O)C1C1CC1
InChIInChI=1S/C15H26N2O3/c1-4-20-8-7-17-13(11-5-6-11)14(18)16-12(15(17)19)9-10(2)3/h10-13H,4-9H2,1-3H3,(H,16,18)
InChIKeyVLJYCGRPVCPDIG-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.17
Rot. Bonds7

About 6-cyclopropyl-1-(2-ethoxyethyl)-3-(2-methylpropyl)piperazine-2,5-dione

6-cyclopropyl-1-(2-ethoxyethyl)-3-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 64901725) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 6-cyclopropyl-1-(2-ethoxyethyl)-3-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-cyclopropyl-1-(2-ethoxyethyl)-3-(2-methylpropyl)piperazine-2,5-dione
PubChem CID64901725
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name6-cyclopropyl-1-(2-ethoxyethyl)-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCCOCCN1C(=O)C(CC(C)C)NC(=O)C1C1CC1
InChIInChI=1S/C15H26N2O3/c1-4-20-8-7-17-13(11-5-6-11)14(18)16-12(15(17)19)9-10(2)3/h10-13H,4-9H2,1-3H3,(H,16,18)
InChIKeyVLJYCGRPVCPDIG-UHFFFAOYSA-N
XLogP1.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.17
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

1-(2-ethoxyethyl)-3-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64903642
6-cyclohexyl-1-(2-ethoxyethyl)-3-ethylpiperazine-2,5-dione
CID 64901093
1-(3-ethoxypropyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64959221
1-(3-ethoxypropyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
CID 65177926
6-cyclopropyl-1-(3-ethoxypropyl)-3-methylpiperazine-2,5-dione
CID 65177758
6-cyclopropyl-3-ethyl-1-(2-methoxyethyl)piperazine-2,5-dione
CID 64901847
6-cyclopropyl-1-(2-methoxyethyl)-3-propylpiperazine-2,5-dione
CID 64873961
6-cyclopropyl-3-ethyl-1-propylpiperazine-2,5-dione
CID 64901468
6-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione
CID 64874482
6-ethyl-1-[2-(2-methylprop-2-enoxy)ethyl]-3-(2-methylpropyl)piperazine-2,5-dione
CID 114469767
3-(2-ethoxyethyl)-5-methyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83236846
1-(3-methylbutyl)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 64902109

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1-(2-ethoxyethyl)-3-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 6-cyclopropyl-1-(2-ethoxyethyl)-3-(2-methylpropyl)piperazine-2,5-dione (CID 64901725) is 6-cyclopropyl-1-(2-ethoxyethyl)-3-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 6-cyclopropyl-1-(2-ethoxyethyl)-3-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 6-cyclopropyl-1-(2-ethoxyethyl)-3-(2-methylpropyl)piperazine-2,5-dione is CCOCCN1C(=O)C(CC(C)C)NC(=O)C1C1CC1.
What is the InChIKey of 6-cyclopropyl-1-(2-ethoxyethyl)-3-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is VLJYCGRPVCPDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-4-20-8-7-17-13(11-5-6-11)14(18)16-12(15(17)19)9-10(2)3/h10-13H,4-9H2,1-3H3,(H,16,18).
What are the key properties of 6-cyclopropyl-1-(2-ethoxyethyl)-3-(2-methylpropyl)piperazine-2,5-dione?
6-cyclopropyl-1-(2-ethoxyethyl)-3-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 282.38 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1-(2-ethoxyethyl)-3-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 64901725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).