6-tert-butyl-1-(2-ethylbutyl)-3-propylpiperazine-2,5-dione

C17H32N2O2 — CID 82926672

IUPAC6-tert-butyl-1-(2-ethylbutyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C(C)(C)C)N(CC(CC)CC)C1=O
InChIInChI=1S/C17H32N2O2/c1-7-10-13-16(21)19(11-12(8-2)9-3)14(15(20)18-13)17(4,5)6/h12-14H,7-11H2,1-6H3,(H,18,20)
InChIKeyHZDWYTFUJWTNPP-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.96
Rot. Bonds6

About 6-tert-butyl-1-(2-ethylbutyl)-3-propylpiperazine-2,5-dione

6-tert-butyl-1-(2-ethylbutyl)-3-propylpiperazine-2,5-dione (PubChem CID 82926672) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 6-tert-butyl-1-(2-ethylbutyl)-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-tert-butyl-1-(2-ethylbutyl)-3-propylpiperazine-2,5-dione
PubChem CID82926672
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name6-tert-butyl-1-(2-ethylbutyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C(C)(C)C)N(CC(CC)CC)C1=O
InChIInChI=1S/C17H32N2O2/c1-7-10-13-16(21)19(11-12(8-2)9-3)14(15(20)18-13)17(4,5)6/h12-14H,7-11H2,1-6H3,(H,18,20)
InChIKeyHZDWYTFUJWTNPP-UHFFFAOYSA-N
XLogP2.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-tert-butyl-3-ethyl-1-(2-ethylbutyl)piperazine-2,5-dione
CID 82934453
1-(2-ethylbutyl)-3,6-dipropylpiperazine-2,5-dione
CID 82934942
6-tert-butyl-1-(3-methylbutyl)-3-propylpiperazine-2,5-dione
CID 64873376
6-tert-butyl-1-(2-ethylhexyl)-3-methylpiperazine-2,5-dione
CID 64872557
1-(2-ethylhexyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 64872963
6-tert-butyl-1-cyclopentyl-3-propylpiperazine-2,5-dione
CID 82937313
6-methyl-1-(2-methylpropyl)-3-propylpiperazine-2,5-dione
CID 64872371
6-tert-butyl-3-ethyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
CID 64902045
3-cyclopropyl-1-(2-ethylbutyl)-6-propylpiperazine-2,5-dione
CID 82934654
1,3,6-tripropylpiperazine-2,5-dione
CID 64873955
6-tert-butyl-1-(2-methylpropyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64873023
6-tert-butyl-3-ethyl-1-(3-fluoropropyl)piperazine-2,5-dione
CID 81113020

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-(2-ethylbutyl)-3-propylpiperazine-2,5-dione?
The IUPAC name of 6-tert-butyl-1-(2-ethylbutyl)-3-propylpiperazine-2,5-dione (CID 82926672) is 6-tert-butyl-1-(2-ethylbutyl)-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 6-tert-butyl-1-(2-ethylbutyl)-3-propylpiperazine-2,5-dione?
The canonical SMILES for 6-tert-butyl-1-(2-ethylbutyl)-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(C(C)(C)C)N(CC(CC)CC)C1=O.
What is the InChIKey of 6-tert-butyl-1-(2-ethylbutyl)-3-propylpiperazine-2,5-dione?
The InChIKey is HZDWYTFUJWTNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-7-10-13-16(21)19(11-12(8-2)9-3)14(15(20)18-13)17(4,5)6/h12-14H,7-11H2,1-6H3,(H,18,20).
What are the key properties of 6-tert-butyl-1-(2-ethylbutyl)-3-propylpiperazine-2,5-dione?
6-tert-butyl-1-(2-ethylbutyl)-3-propylpiperazine-2,5-dione has a molecular weight of 296.45 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-(2-ethylbutyl)-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 82926672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).