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

C14H25FN2O2 — CID 81113252

IUPAC6-tert-butyl-3-ethyl-1-(3-fluoropropyl)-3-methylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C(C)(C)C)N(CCCF)C1=O
InChIInChI=1S/C14H25FN2O2/c1-6-14(5)12(19)17(9-7-8-15)10(11(18)16-14)13(2,3)4/h10H,6-9H2,1-5H3,(H,16,18)
InChIKeyUFAZBEHDPLCQJI-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.89
Rot. Bonds4

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

6-tert-butyl-3-ethyl-1-(3-fluoropropyl)-3-methylpiperazine-2,5-dione (PubChem CID 81113252) has the molecular formula C14H25FN2O2 and a molecular weight of 272.36 g/mol. Its IUPAC name is 6-tert-butyl-3-ethyl-1-(3-fluoropropyl)-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-tert-butyl-3-ethyl-1-(3-fluoropropyl)-3-methylpiperazine-2,5-dione
PubChem CID81113252
Molecular FormulaC14H25FN2O2
Molecular Weight272.36 g/mol
Exact Mass272.19
IUPAC Name6-tert-butyl-3-ethyl-1-(3-fluoropropyl)-3-methylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C(C)(C)C)N(CCCF)C1=O
InChIInChI=1S/C14H25FN2O2/c1-6-14(5)12(19)17(9-7-8-15)10(11(18)16-14)13(2,3)4/h10H,6-9H2,1-5H3,(H,16,18)
InChIKeyUFAZBEHDPLCQJI-UHFFFAOYSA-N
XLogP1.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-ethyl-1-(3-fluoropropyl)-3-methylpiperazine-2,5-dione?
The IUPAC name of 6-tert-butyl-3-ethyl-1-(3-fluoropropyl)-3-methylpiperazine-2,5-dione (CID 81113252) is 6-tert-butyl-3-ethyl-1-(3-fluoropropyl)-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 6-tert-butyl-3-ethyl-1-(3-fluoropropyl)-3-methylpiperazine-2,5-dione?
The canonical SMILES for 6-tert-butyl-3-ethyl-1-(3-fluoropropyl)-3-methylpiperazine-2,5-dione is CCC1(C)NC(=O)C(C(C)(C)C)N(CCCF)C1=O.
What is the InChIKey of 6-tert-butyl-3-ethyl-1-(3-fluoropropyl)-3-methylpiperazine-2,5-dione?
The InChIKey is UFAZBEHDPLCQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FN2O2/c1-6-14(5)12(19)17(9-7-8-15)10(11(18)16-14)13(2,3)4/h10H,6-9H2,1-5H3,(H,16,18).
What are the key properties of 6-tert-butyl-3-ethyl-1-(3-fluoropropyl)-3-methylpiperazine-2,5-dione?
6-tert-butyl-3-ethyl-1-(3-fluoropropyl)-3-methylpiperazine-2,5-dione has a molecular weight of 272.36 g/mol, XLogP of 1.89, 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)-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 81113252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).