6-cyclopropyl-3-ethyl-1-(4-methoxybutyl)-3,6-dimethylpiperazine-2,5-dione

C16H28N2O3 — CID 104650419

IUPAC6-cyclopropyl-3-ethyl-1-(4-methoxybutyl)-3,6-dimethylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C)(C2CC2)N(CCCCOC)C1=O
InChIInChI=1S/C16H28N2O3/c1-5-15(2)14(20)18(10-6-7-11-21-4)16(3,12-8-9-12)13(19)17-15/h12H,5-11H2,1-4H3,(H,17,19)
InChIKeyCIPDTBSUGPQWBM-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.71
Rot. Bonds7

About 6-cyclopropyl-3-ethyl-1-(4-methoxybutyl)-3,6-dimethylpiperazine-2,5-dione

6-cyclopropyl-3-ethyl-1-(4-methoxybutyl)-3,6-dimethylpiperazine-2,5-dione (PubChem CID 104650419) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 6-cyclopropyl-3-ethyl-1-(4-methoxybutyl)-3,6-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-cyclopropyl-3-ethyl-1-(4-methoxybutyl)-3,6-dimethylpiperazine-2,5-dione
PubChem CID104650419
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name6-cyclopropyl-3-ethyl-1-(4-methoxybutyl)-3,6-dimethylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C)(C2CC2)N(CCCCOC)C1=O
InChIInChI=1S/C16H28N2O3/c1-5-15(2)14(20)18(10-6-7-11-21-4)16(3,12-8-9-12)13(19)17-15/h12H,5-11H2,1-4H3,(H,17,19)
InChIKeyCIPDTBSUGPQWBM-UHFFFAOYSA-N
XLogP1.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.71
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

6-cyclopropyl-1-(4-methoxybutyl)-3,3,6-trimethylpiperazine-2,5-dione
CID 104650386
3-ethyl-1-[3-(2-methoxyethoxy)propyl]-3,6,6-trimethylpiperazine-2,5-dione
CID 103414749
6-cyclopropyl-3-ethyl-3,6-dimethyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione
CID 64887604
1-butyl-3,6-dicyclopropyl-3,6-dimethylpiperazine-2,5-dione
CID 64885387
6-cyclopropyl-3,3-diethyl-1-(3-fluoropropyl)-6-methylpiperazine-2,5-dione
CID 81110148
3,6,6-triethyl-1-(2-methoxyethyl)-3-methylpiperazine-2,5-dione
CID 64885497
3-butan-2-yl-6-cyclopropyl-1-(3-methoxypropyl)-6-methylpiperazine-2,5-dione
CID 64901198
3-ethyl-1-(2-methoxyethyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64885883
6-cyclopropyl-3-ethyl-1-(2-methoxyethyl)-6-methylpiperazine-2,5-dione
CID 64903218
2-cyclopentyl-5-ethyl-3-(4-methoxybutyl)-5-methylimidazolidin-4-one
CID 83244840
8-cyclopropyl-9-(3-fluoropropyl)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 81113254
6-ethyl-1-(4-methoxybutyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 104650364

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-ethyl-1-(4-methoxybutyl)-3,6-dimethylpiperazine-2,5-dione?
The IUPAC name of 6-cyclopropyl-3-ethyl-1-(4-methoxybutyl)-3,6-dimethylpiperazine-2,5-dione (CID 104650419) is 6-cyclopropyl-3-ethyl-1-(4-methoxybutyl)-3,6-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 6-cyclopropyl-3-ethyl-1-(4-methoxybutyl)-3,6-dimethylpiperazine-2,5-dione?
The canonical SMILES for 6-cyclopropyl-3-ethyl-1-(4-methoxybutyl)-3,6-dimethylpiperazine-2,5-dione is CCC1(C)NC(=O)C(C)(C2CC2)N(CCCCOC)C1=O.
What is the InChIKey of 6-cyclopropyl-3-ethyl-1-(4-methoxybutyl)-3,6-dimethylpiperazine-2,5-dione?
The InChIKey is CIPDTBSUGPQWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-5-15(2)14(20)18(10-6-7-11-21-4)16(3,12-8-9-12)13(19)17-15/h12H,5-11H2,1-4H3,(H,17,19).
What are the key properties of 6-cyclopropyl-3-ethyl-1-(4-methoxybutyl)-3,6-dimethylpiperazine-2,5-dione?
6-cyclopropyl-3-ethyl-1-(4-methoxybutyl)-3,6-dimethylpiperazine-2,5-dione has a molecular weight of 296.41 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-ethyl-1-(4-methoxybutyl)-3,6-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 104650419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).