6-cyclopropyl-1-[2-(3-methoxypropoxy)ethyl]-3,3-dimethylpiperazine-2,5-dione

C15H26N2O4 — CID 103184650

IUPAC6-cyclopropyl-1-[2-(3-methoxypropoxy)ethyl]-3,3-dimethylpiperazine-2,5-dione
SMILESCOCCCOCCN1C(=O)C(C)(C)NC(=O)C1C1CC1
InChIInChI=1S/C15H26N2O4/c1-15(2)14(19)17(7-10-21-9-4-8-20-3)12(11-5-6-11)13(18)16-15/h11-12H,4-10H2,1-3H3,(H,16,18)
InChIKeyPUHZVGDLQJTZJW-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.56
Rot. Bonds8

About 6-cyclopropyl-1-[2-(3-methoxypropoxy)ethyl]-3,3-dimethylpiperazine-2,5-dione

6-cyclopropyl-1-[2-(3-methoxypropoxy)ethyl]-3,3-dimethylpiperazine-2,5-dione (PubChem CID 103184650) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 6-cyclopropyl-1-[2-(3-methoxypropoxy)ethyl]-3,3-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-cyclopropyl-1-[2-(3-methoxypropoxy)ethyl]-3,3-dimethylpiperazine-2,5-dione
PubChem CID103184650
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name6-cyclopropyl-1-[2-(3-methoxypropoxy)ethyl]-3,3-dimethylpiperazine-2,5-dione
SMILESCOCCCOCCN1C(=O)C(C)(C)NC(=O)C1C1CC1
InChIInChI=1S/C15H26N2O4/c1-15(2)14(19)17(7-10-21-9-4-8-20-3)12(11-5-6-11)13(18)16-15/h11-12H,4-10H2,1-3H3,(H,16,18)
InChIKeyPUHZVGDLQJTZJW-UHFFFAOYSA-N
XLogP0.56
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.56
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-cyclopropyl-1-[3-(2-methoxyethoxy)propyl]-3,3-dimethylpiperazine-2,5-dione
CID 103414640
6-cyclopropyl-1-(4-methoxybutyl)-3,3-dimethylpiperazine-2,5-dione
CID 104650380
6-cyclopropyl-3,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,5-dione
CID 115943725
3,6-dicyclopropyl-1-(2-methoxyethyl)-3-methylpiperazine-2,5-dione
CID 64886143
6-cyclopropyl-3,3-dimethyl-1-(3-methylsulfanylpropyl)piperazine-2,5-dione
CID 113474633
6-cyclopropyl-1-(3,3-dimethylbutyl)-3,3-dimethylpiperazine-2,5-dione
CID 64903708
6-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione
CID 64874482
6-ethyl-1-(3-methoxypropyl)-3,3-dimethylpiperazine-2,5-dione
CID 64875375
1-(2-methoxyethyl)-3,3,7-trimethyl-1,4-diazepane-2,5-dione
CID 64883200
6-tert-butyl-1-(4-methoxybutyl)-3,3-dimethylpiperazine-2,5-dione
CID 104650381
1-(2-ethoxyethyl)-3,3,6-trimethylpiperazine-2,5-dione
CID 64875371
6-cyclopropyl-3,3-dimethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione
CID 103141791

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1-[2-(3-methoxypropoxy)ethyl]-3,3-dimethylpiperazine-2,5-dione?
The IUPAC name of 6-cyclopropyl-1-[2-(3-methoxypropoxy)ethyl]-3,3-dimethylpiperazine-2,5-dione (CID 103184650) is 6-cyclopropyl-1-[2-(3-methoxypropoxy)ethyl]-3,3-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 6-cyclopropyl-1-[2-(3-methoxypropoxy)ethyl]-3,3-dimethylpiperazine-2,5-dione?
The canonical SMILES for 6-cyclopropyl-1-[2-(3-methoxypropoxy)ethyl]-3,3-dimethylpiperazine-2,5-dione is COCCCOCCN1C(=O)C(C)(C)NC(=O)C1C1CC1.
What is the InChIKey of 6-cyclopropyl-1-[2-(3-methoxypropoxy)ethyl]-3,3-dimethylpiperazine-2,5-dione?
The InChIKey is PUHZVGDLQJTZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-15(2)14(19)17(7-10-21-9-4-8-20-3)12(11-5-6-11)13(18)16-15/h11-12H,4-10H2,1-3H3,(H,16,18).
What are the key properties of 6-cyclopropyl-1-[2-(3-methoxypropoxy)ethyl]-3,3-dimethylpiperazine-2,5-dione?
6-cyclopropyl-1-[2-(3-methoxypropoxy)ethyl]-3,3-dimethylpiperazine-2,5-dione has a molecular weight of 298.38 g/mol, XLogP of 0.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1-[2-(3-methoxypropoxy)ethyl]-3,3-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 103184650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).