6,6-diethyl-1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperazine-2,5-dione

C15H28N2O4 — CID 103184637

IUPAC6,6-diethyl-1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperazine-2,5-dione
SMILESCCC1(CC)C(=O)NC(C)C(=O)N1CCOCCCOC
InChIInChI=1S/C15H28N2O4/c1-5-15(6-2)14(19)16-12(3)13(18)17(15)8-11-21-10-7-9-20-4/h12H,5-11H2,1-4H3,(H,16,19)
InChIKeyRMBVCKPJDHUSNS-UHFFFAOYSA-N
MW300.40 g/mol
LogP0.95
Rot. Bonds9

About 6,6-diethyl-1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperazine-2,5-dione

6,6-diethyl-1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperazine-2,5-dione (PubChem CID 103184637) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 6,6-diethyl-1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name6,6-diethyl-1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperazine-2,5-dione
PubChem CID103184637
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name6,6-diethyl-1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperazine-2,5-dione
SMILESCCC1(CC)C(=O)NC(C)C(=O)N1CCOCCCOC
InChIInChI=1S/C15H28N2O4/c1-5-15(6-2)14(19)16-12(3)13(18)17(15)8-11-21-10-7-9-20-4/h12H,5-11H2,1-4H3,(H,16,19)
InChIKeyRMBVCKPJDHUSNS-UHFFFAOYSA-N
XLogP0.95
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 50.95
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

6,6-diethyl-1-(3-fluoropropyl)-3-methylpiperazine-2,5-dione
CID 81113601
6,6-diethyl-1-(3-ethylsulfonylpropyl)-3-methylpiperazine-2,5-dione
CID 65096559
1-(2-ethoxyethyl)-3,6,6-trimethylpiperazine-2,5-dione
CID 64873314
1-(2-butoxyethyl)-6-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
CID 64874522
1-(cyclopentylmethyl)-6,6-diethyl-3-methylpiperazine-2,5-dione
CID 64873323
1-[(E)-3-chloroprop-2-enyl]-6,6-diethyl-3-methylpiperazine-2,5-dione
CID 107902012
3,6,6-triethyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione
CID 64901866
6,6-diethyl-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione
CID 107056364
1-(3-ethoxypropyl)-6,6-diethyl-3-propylpiperazine-2,5-dione
CID 65178089
3,6,6-triethyl-1-(2-methoxyethyl)-3-methylpiperazine-2,5-dione
CID 64885497
6,6-diethyl-3-methyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione
CID 64874506
6,6-diethyl-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione
CID 112645008

Frequently Asked Questions

What is the IUPAC name of 6,6-diethyl-1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperazine-2,5-dione?
The IUPAC name of 6,6-diethyl-1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperazine-2,5-dione (CID 103184637) is 6,6-diethyl-1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 6,6-diethyl-1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperazine-2,5-dione?
The canonical SMILES for 6,6-diethyl-1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperazine-2,5-dione is CCC1(CC)C(=O)NC(C)C(=O)N1CCOCCCOC.
What is the InChIKey of 6,6-diethyl-1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperazine-2,5-dione?
The InChIKey is RMBVCKPJDHUSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-5-15(6-2)14(19)16-12(3)13(18)17(15)8-11-21-10-7-9-20-4/h12H,5-11H2,1-4H3,(H,16,19).
What are the key properties of 6,6-diethyl-1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperazine-2,5-dione?
6,6-diethyl-1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperazine-2,5-dione has a molecular weight of 300.40 g/mol, XLogP of 0.95, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-diethyl-1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 103184637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).