6-butan-2-yl-3-ethyl-1-(3-methoxypropyl)-3-methylpiperazine-2,5-dione

C15H28N2O3 — CID 64886435

IUPAC6-butan-2-yl-3-ethyl-1-(3-methoxypropyl)-3-methylpiperazine-2,5-dione
SMILESCCC(C)C1C(=O)NC(C)(CC)C(=O)N1CCCOC
InChIInChI=1S/C15H28N2O3/c1-6-11(3)12-13(18)16-15(4,7-2)14(19)17(12)9-8-10-20-5/h11-12H,6-10H2,1-5H3,(H,16,18)
InChIKeyKSZWMRYKRPMYCL-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.56
Rot. Bonds7

About 6-butan-2-yl-3-ethyl-1-(3-methoxypropyl)-3-methylpiperazine-2,5-dione

6-butan-2-yl-3-ethyl-1-(3-methoxypropyl)-3-methylpiperazine-2,5-dione (PubChem CID 64886435) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 6-butan-2-yl-3-ethyl-1-(3-methoxypropyl)-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-butan-2-yl-3-ethyl-1-(3-methoxypropyl)-3-methylpiperazine-2,5-dione
PubChem CID64886435
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name6-butan-2-yl-3-ethyl-1-(3-methoxypropyl)-3-methylpiperazine-2,5-dione
SMILESCCC(C)C1C(=O)NC(C)(CC)C(=O)N1CCCOC
InChIInChI=1S/C15H28N2O3/c1-6-11(3)12-13(18)16-15(4,7-2)14(19)17(12)9-8-10-20-5/h11-12H,6-10H2,1-5H3,(H,16,18)
InChIKeyKSZWMRYKRPMYCL-UHFFFAOYSA-N
XLogP1.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-butan-2-yl-3-ethyl-1-(3-methoxypropyl)-3-methylpiperazine-2,5-dione with MolForge

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Related Compounds

3-ethyl-3-methyl-1-(5-methylhexyl)-6-propan-2-ylpiperazine-2,5-dione
CID 115327146
3,3-diethyl-1-(4-methoxybutyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64967457
3-ethyl-3-methyl-1-(3-methylbutyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64901390
6-butan-2-yl-3-tert-butyl-1-(3-methoxypropyl)piperazine-2,5-dione
CID 64902272
6-butan-2-yl-3-ethyl-3-methyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
CID 64885668
3-ethyl-1-(2-methoxyethyl)-3-methyl-6-propylpiperazine-2,5-dione
CID 64886432
3-ethyl-3-methyl-1-[2-(2-methylprop-2-enoxy)ethyl]-6-propan-2-ylpiperazine-2,5-dione
CID 114469804
6-butan-2-yl-3-cyclopropyl-1-(2-ethoxyethyl)-3-methylpiperazine-2,5-dione
CID 64887477
6-ethyl-1-(3-methoxypropyl)-3,3-dimethylpiperazine-2,5-dione
CID 64875375
1-(2,2-dimethylpropyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64964468
3-ethyl-3-methyl-6-propan-2-yl-1-prop-2-ynylpiperazine-2,5-dione
CID 64963630
6-butan-2-yl-1-[2-(3-methoxypropoxy)ethyl]piperazine-2,5-dione
CID 103184675

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-3-ethyl-1-(3-methoxypropyl)-3-methylpiperazine-2,5-dione?
The IUPAC name of 6-butan-2-yl-3-ethyl-1-(3-methoxypropyl)-3-methylpiperazine-2,5-dione (CID 64886435) is 6-butan-2-yl-3-ethyl-1-(3-methoxypropyl)-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 6-butan-2-yl-3-ethyl-1-(3-methoxypropyl)-3-methylpiperazine-2,5-dione?
The canonical SMILES for 6-butan-2-yl-3-ethyl-1-(3-methoxypropyl)-3-methylpiperazine-2,5-dione is CCC(C)C1C(=O)NC(C)(CC)C(=O)N1CCCOC.
What is the InChIKey of 6-butan-2-yl-3-ethyl-1-(3-methoxypropyl)-3-methylpiperazine-2,5-dione?
The InChIKey is KSZWMRYKRPMYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-6-11(3)12-13(18)16-15(4,7-2)14(19)17(12)9-8-10-20-5/h11-12H,6-10H2,1-5H3,(H,16,18).
What are the key properties of 6-butan-2-yl-3-ethyl-1-(3-methoxypropyl)-3-methylpiperazine-2,5-dione?
6-butan-2-yl-3-ethyl-1-(3-methoxypropyl)-3-methylpiperazine-2,5-dione has a molecular weight of 284.40 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-3-ethyl-1-(3-methoxypropyl)-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64886435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).