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

C12H22N2O3 — CID 65179679

IUPAC1-(3-ethoxypropyl)-6-ethyl-6-methylpiperazine-2,5-dione
SMILESCCOCCCN1C(=O)CNC(=O)C1(C)CC
InChIInChI=1S/C12H22N2O3/c1-4-12(3)11(16)13-9-10(15)14(12)7-6-8-17-5-2/h4-9H2,1-3H3,(H,13,16)
InChIKeyMEEKMYQWZJNFBB-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.54
Rot. Bonds6

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

1-(3-ethoxypropyl)-6-ethyl-6-methylpiperazine-2,5-dione (PubChem CID 65179679) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-6-ethyl-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-6-ethyl-6-methylpiperazine-2,5-dione
PubChem CID65179679
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-(3-ethoxypropyl)-6-ethyl-6-methylpiperazine-2,5-dione
SMILESCCOCCCN1C(=O)CNC(=O)C1(C)CC
InChIInChI=1S/C12H22N2O3/c1-4-12(3)11(16)13-9-10(15)14(12)7-6-8-17-5-2/h4-9H2,1-3H3,(H,13,16)
InChIKeyMEEKMYQWZJNFBB-UHFFFAOYSA-N
XLogP0.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
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 1-(3-ethoxypropyl)-6-ethyl-6-methylpiperazine-2,5-dione?
The IUPAC name of 1-(3-ethoxypropyl)-6-ethyl-6-methylpiperazine-2,5-dione (CID 65179679) is 1-(3-ethoxypropyl)-6-ethyl-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3-ethoxypropyl)-6-ethyl-6-methylpiperazine-2,5-dione?
The canonical SMILES for 1-(3-ethoxypropyl)-6-ethyl-6-methylpiperazine-2,5-dione is CCOCCCN1C(=O)CNC(=O)C1(C)CC.
What is the InChIKey of 1-(3-ethoxypropyl)-6-ethyl-6-methylpiperazine-2,5-dione?
The InChIKey is MEEKMYQWZJNFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-12(3)11(16)13-9-10(15)14(12)7-6-8-17-5-2/h4-9H2,1-3H3,(H,13,16).
What are the key properties of 1-(3-ethoxypropyl)-6-ethyl-6-methylpiperazine-2,5-dione?
1-(3-ethoxypropyl)-6-ethyl-6-methylpiperazine-2,5-dione has a molecular weight of 242.32 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 1-(3-ethoxypropyl)-6-ethyl-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 65179679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).