3-tert-butyl-6-methyl-1-octylpiperazine-2,5-dione

C17H32N2O2 — CID 64902838

IUPAC3-tert-butyl-6-methyl-1-octylpiperazine-2,5-dione
SMILESCCCCCCCCN1C(=O)C(C(C)(C)C)NC(=O)C1C
InChIInChI=1S/C17H32N2O2/c1-6-7-8-9-10-11-12-19-13(2)15(20)18-14(16(19)21)17(3,4)5/h13-14H,6-12H2,1-5H3,(H,18,20)
InChIKeyLTAQJEJTPLZWKF-UHFFFAOYSA-N
MW296.46 g/mol
LogP3.11
Rot. Bonds7

About 3-tert-butyl-6-methyl-1-octylpiperazine-2,5-dione

3-tert-butyl-6-methyl-1-octylpiperazine-2,5-dione (PubChem CID 64902838) has the molecular formula C17H32N2O2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 3-tert-butyl-6-methyl-1-octylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-6-methyl-1-octylpiperazine-2,5-dione
PubChem CID64902838
Molecular FormulaC17H32N2O2
Molecular Weight296.46 g/mol
Exact Mass296.25
IUPAC Name3-tert-butyl-6-methyl-1-octylpiperazine-2,5-dione
SMILESCCCCCCCCN1C(=O)C(C(C)(C)C)NC(=O)C1C
InChIInChI=1S/C17H32N2O2/c1-6-7-8-9-10-11-12-19-13(2)15(20)18-14(16(19)21)17(3,4)5/h13-14H,6-12H2,1-5H3,(H,18,20)
InChIKeyLTAQJEJTPLZWKF-UHFFFAOYSA-N
XLogP3.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-tert-butyl-1-pentyl-6-propylpiperazine-2,5-dione
CID 64901503
3-tert-butyl-6-methyl-1-(3-methylsulfonylpropyl)piperazine-2,5-dione
CID 64902646
3-tert-butyl-6-methyl-1-(2-propoxyethyl)piperazine-2,5-dione
CID 106459018
3-tert-butyl-6-methyl-1-(3-methylbutyl)piperazine-2,5-dione
CID 64900734
3-tert-butyl-6-methyl-1-(2-methylsulfonylethyl)piperazine-2,5-dione
CID 64900733
3-tert-butyl-6-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
CID 116627661
3-tert-butyl-6-methyl-1-octan-2-ylpiperazine-2,5-dione
CID 64965035
3-tert-butyl-1-heptan-2-yl-6-methylpiperazine-2,5-dione
CID 64964224
3-tert-butyl-6-methyl-1-(2-thiomorpholin-4-ylethyl)piperazine-2,5-dione
CID 106326406
3-tert-butyl-1,6-dimethylpiperazine-2,5-dione
CID 64902648
3-tert-butyl-6-methyl-1-[(1-methylcyclopentyl)methyl]piperazine-2,5-dione
CID 64971337
3-tert-butyl-1-nonylpiperazine-2,5-dione
CID 64880756

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-methyl-1-octylpiperazine-2,5-dione?
The IUPAC name of 3-tert-butyl-6-methyl-1-octylpiperazine-2,5-dione (CID 64902838) is 3-tert-butyl-6-methyl-1-octylpiperazine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-6-methyl-1-octylpiperazine-2,5-dione?
The canonical SMILES for 3-tert-butyl-6-methyl-1-octylpiperazine-2,5-dione is CCCCCCCCN1C(=O)C(C(C)(C)C)NC(=O)C1C.
What is the InChIKey of 3-tert-butyl-6-methyl-1-octylpiperazine-2,5-dione?
The InChIKey is LTAQJEJTPLZWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-6-7-8-9-10-11-12-19-13(2)15(20)18-14(16(19)21)17(3,4)5/h13-14H,6-12H2,1-5H3,(H,18,20).
What are the key properties of 3-tert-butyl-6-methyl-1-octylpiperazine-2,5-dione?
3-tert-butyl-6-methyl-1-octylpiperazine-2,5-dione has a molecular weight of 296.46 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-methyl-1-octylpiperazine-2,5-dione is sourced from PubChem (CID 64902838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).