6-tert-butyl-3-ethyl-1-(3-fluoropropyl)piperazine-2,5-dione

C13H23FN2O2 — CID 81113020

IUPAC6-tert-butyl-3-ethyl-1-(3-fluoropropyl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(C(C)(C)C)N(CCCF)C1=O
InChIInChI=1S/C13H23FN2O2/c1-5-9-12(18)16(8-6-7-14)10(11(17)15-9)13(2,3)4/h9-10H,5-8H2,1-4H3,(H,15,17)
InChIKeyQGULRMJSZWGWAL-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.50
Rot. Bonds4

About 6-tert-butyl-3-ethyl-1-(3-fluoropropyl)piperazine-2,5-dione

6-tert-butyl-3-ethyl-1-(3-fluoropropyl)piperazine-2,5-dione (PubChem CID 81113020) has the molecular formula C13H23FN2O2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 6-tert-butyl-3-ethyl-1-(3-fluoropropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-tert-butyl-3-ethyl-1-(3-fluoropropyl)piperazine-2,5-dione
PubChem CID81113020
Molecular FormulaC13H23FN2O2
Molecular Weight258.34 g/mol
Exact Mass258.17
IUPAC Name6-tert-butyl-3-ethyl-1-(3-fluoropropyl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(C(C)(C)C)N(CCCF)C1=O
InChIInChI=1S/C13H23FN2O2/c1-5-9-12(18)16(8-6-7-14)10(11(17)15-9)13(2,3)4/h9-10H,5-8H2,1-4H3,(H,15,17)
InChIKeyQGULRMJSZWGWAL-UHFFFAOYSA-N
XLogP1.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-tert-butyl-3-ethyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
CID 64902045
3-ethyl-1-(3-fluoropropyl)-6-propylpiperazine-2,5-dione
CID 81114569
6-tert-butyl-3-ethyl-1-[2-(2-methoxyethoxy)ethyl]piperazine-2,5-dione
CID 64902809
6-tert-butyl-3-ethyl-1-(2-ethylbutyl)piperazine-2,5-dione
CID 82934453
6-tert-butyl-3-ethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione
CID 107056525
6-tert-butyl-1-(3-methoxypropyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64902495
6-tert-butyl-1-(3-methylbutyl)-3-propylpiperazine-2,5-dione
CID 64873376
1-(3,3-dimethylbutyl)-3,6-diethylpiperazine-2,5-dione
CID 64901256
6-tert-butyl-1-(2-ethylbutyl)-3-propylpiperazine-2,5-dione
CID 82926672
3-benzyl-6-tert-butyl-1-ethylpiperazine-2,5-dione
CID 64901185
3-ethyl-6-methyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione
CID 64902587
3-ethyl-6-methyl-1-(4-phenylbutyl)piperazine-2,5-dione
CID 114334980

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-ethyl-1-(3-fluoropropyl)piperazine-2,5-dione?
The IUPAC name of 6-tert-butyl-3-ethyl-1-(3-fluoropropyl)piperazine-2,5-dione (CID 81113020) is 6-tert-butyl-3-ethyl-1-(3-fluoropropyl)piperazine-2,5-dione.
What is the SMILES notation for 6-tert-butyl-3-ethyl-1-(3-fluoropropyl)piperazine-2,5-dione?
The canonical SMILES for 6-tert-butyl-3-ethyl-1-(3-fluoropropyl)piperazine-2,5-dione is CCC1NC(=O)C(C(C)(C)C)N(CCCF)C1=O.
What is the InChIKey of 6-tert-butyl-3-ethyl-1-(3-fluoropropyl)piperazine-2,5-dione?
The InChIKey is QGULRMJSZWGWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FN2O2/c1-5-9-12(18)16(8-6-7-14)10(11(17)15-9)13(2,3)4/h9-10H,5-8H2,1-4H3,(H,15,17).
What are the key properties of 6-tert-butyl-3-ethyl-1-(3-fluoropropyl)piperazine-2,5-dione?
6-tert-butyl-3-ethyl-1-(3-fluoropropyl)piperazine-2,5-dione has a molecular weight of 258.34 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-ethyl-1-(3-fluoropropyl)piperazine-2,5-dione is sourced from PubChem (CID 81113020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).