6-tert-butyl-1-(3-methoxypropyl)-3-(2-methylpropyl)piperazine-2,5-dione

C16H30N2O3 — CID 64902495

IUPAC6-tert-butyl-1-(3-methoxypropyl)-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCOCCCN1C(=O)C(CC(C)C)NC(=O)C1C(C)(C)C
InChIInChI=1S/C16H30N2O3/c1-11(2)10-12-15(20)18(8-7-9-21-6)13(14(19)17-12)16(3,4)5/h11-13H,7-10H2,1-6H3,(H,17,19)
InChIKeyGTABNOVJMVHVNS-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.81
Rot. Bonds6

About 6-tert-butyl-1-(3-methoxypropyl)-3-(2-methylpropyl)piperazine-2,5-dione

6-tert-butyl-1-(3-methoxypropyl)-3-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 64902495) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 6-tert-butyl-1-(3-methoxypropyl)-3-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-tert-butyl-1-(3-methoxypropyl)-3-(2-methylpropyl)piperazine-2,5-dione
PubChem CID64902495
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name6-tert-butyl-1-(3-methoxypropyl)-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCOCCCN1C(=O)C(CC(C)C)NC(=O)C1C(C)(C)C
InChIInChI=1S/C16H30N2O3/c1-11(2)10-12-15(20)18(8-7-9-21-6)13(14(19)17-12)16(3,4)5/h11-13H,7-10H2,1-6H3,(H,17,19)
InChIKeyGTABNOVJMVHVNS-UHFFFAOYSA-N
XLogP1.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.81
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

3-(3-methoxypropyl)-5-(2-methylpropyl)-2-propan-2-ylimidazolidin-4-one
CID 83243563
6-tert-butyl-3-ethyl-1-[2-(2-methoxyethoxy)ethyl]piperazine-2,5-dione
CID 64902809
1-(3-ethoxypropyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64959221
6-tert-butyl-1-(3-methylbutyl)-3-propylpiperazine-2,5-dione
CID 64873376
6-tert-butyl-3-ethyl-1-(3-fluoropropyl)piperazine-2,5-dione
CID 81113020
1-(3-ethoxypropyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
CID 65177926
1-(3-methoxypropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64872775
3-(3-methoxypropyl)-2-(2-methylpropyl)-5-propylimidazolidin-4-one
CID 83243478
6-butan-2-yl-3-tert-butyl-1-(3-methoxypropyl)piperazine-2,5-dione
CID 64902272
6-tert-butyl-3-cyclopropyl-1-(3-methoxypropyl)-3-methylpiperazine-2,5-dione
CID 64884994
1-(1-methoxypropan-2-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64956777
8-tert-butyl-9-(3-methoxypropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64885131

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-(3-methoxypropyl)-3-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 6-tert-butyl-1-(3-methoxypropyl)-3-(2-methylpropyl)piperazine-2,5-dione (CID 64902495) is 6-tert-butyl-1-(3-methoxypropyl)-3-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 6-tert-butyl-1-(3-methoxypropyl)-3-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 6-tert-butyl-1-(3-methoxypropyl)-3-(2-methylpropyl)piperazine-2,5-dione is COCCCN1C(=O)C(CC(C)C)NC(=O)C1C(C)(C)C.
What is the InChIKey of 6-tert-butyl-1-(3-methoxypropyl)-3-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is GTABNOVJMVHVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-11(2)10-12-15(20)18(8-7-9-21-6)13(14(19)17-12)16(3,4)5/h11-13H,7-10H2,1-6H3,(H,17,19).
What are the key properties of 6-tert-butyl-1-(3-methoxypropyl)-3-(2-methylpropyl)piperazine-2,5-dione?
6-tert-butyl-1-(3-methoxypropyl)-3-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 298.43 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-(3-methoxypropyl)-3-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 64902495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).