6-cyclopropyl-1-(3-ethoxypropyl)-3-methylpiperazine-2,5-dione

C13H22N2O3 — CID 65177758

IUPAC6-cyclopropyl-1-(3-ethoxypropyl)-3-methylpiperazine-2,5-dione
SMILESCCOCCCN1C(=O)C(C)NC(=O)C1C1CC1
InChIInChI=1S/C13H22N2O3/c1-3-18-8-4-7-15-11(10-5-6-10)12(16)14-9(2)13(15)17/h9-11H,3-8H2,1-2H3,(H,14,16)
InChIKeyMUJNFMDYUBEWOC-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.54
Rot. Bonds6

About 6-cyclopropyl-1-(3-ethoxypropyl)-3-methylpiperazine-2,5-dione

6-cyclopropyl-1-(3-ethoxypropyl)-3-methylpiperazine-2,5-dione (PubChem CID 65177758) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 6-cyclopropyl-1-(3-ethoxypropyl)-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-cyclopropyl-1-(3-ethoxypropyl)-3-methylpiperazine-2,5-dione
PubChem CID65177758
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name6-cyclopropyl-1-(3-ethoxypropyl)-3-methylpiperazine-2,5-dione
SMILESCCOCCCN1C(=O)C(C)NC(=O)C1C1CC1
InChIInChI=1S/C13H22N2O3/c1-3-18-8-4-7-15-11(10-5-6-10)12(16)14-9(2)13(15)17/h9-11H,3-8H2,1-2H3,(H,14,16)
InChIKeyMUJNFMDYUBEWOC-UHFFFAOYSA-N
XLogP0.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.54
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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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1-(3-ethoxypropyl)-3-methylpiperazine-2,5-dione?
The IUPAC name of 6-cyclopropyl-1-(3-ethoxypropyl)-3-methylpiperazine-2,5-dione (CID 65177758) is 6-cyclopropyl-1-(3-ethoxypropyl)-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 6-cyclopropyl-1-(3-ethoxypropyl)-3-methylpiperazine-2,5-dione?
The canonical SMILES for 6-cyclopropyl-1-(3-ethoxypropyl)-3-methylpiperazine-2,5-dione is CCOCCCN1C(=O)C(C)NC(=O)C1C1CC1.
What is the InChIKey of 6-cyclopropyl-1-(3-ethoxypropyl)-3-methylpiperazine-2,5-dione?
The InChIKey is MUJNFMDYUBEWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-3-18-8-4-7-15-11(10-5-6-10)12(16)14-9(2)13(15)17/h9-11H,3-8H2,1-2H3,(H,14,16).
What are the key properties of 6-cyclopropyl-1-(3-ethoxypropyl)-3-methylpiperazine-2,5-dione?
6-cyclopropyl-1-(3-ethoxypropyl)-3-methylpiperazine-2,5-dione has a molecular weight of 254.33 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1-(3-ethoxypropyl)-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 65177758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).