3,3-diethyl-6-propyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione

C14H23F3N2O2 — CID 64886737

IUPAC3,3-diethyl-6-propyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
SMILESCCCC1C(=O)NC(CC)(CC)C(=O)N1CCC(F)(F)F
InChIInChI=1S/C14H23F3N2O2/c1-4-7-10-11(20)18-13(5-2,6-3)12(21)19(10)9-8-14(15,16)17/h10H,4-9H2,1-3H3,(H,18,20)
InChIKeyUBEHYEVRSAEMMS-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.62
Rot. Bonds6

About 3,3-diethyl-6-propyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione

3,3-diethyl-6-propyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione (PubChem CID 64886737) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3,3-diethyl-6-propyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,3-diethyl-6-propyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
PubChem CID64886737
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC Name3,3-diethyl-6-propyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
SMILESCCCC1C(=O)NC(CC)(CC)C(=O)N1CCC(F)(F)F
InChIInChI=1S/C14H23F3N2O2/c1-4-7-10-11(20)18-13(5-2,6-3)12(21)19(10)9-8-14(15,16)17/h10H,4-9H2,1-3H3,(H,18,20)
InChIKeyUBEHYEVRSAEMMS-UHFFFAOYSA-N
XLogP2.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-6-propyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione?
The IUPAC name of 3,3-diethyl-6-propyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione (CID 64886737) is 3,3-diethyl-6-propyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione.
What is the SMILES notation for 3,3-diethyl-6-propyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione?
The canonical SMILES for 3,3-diethyl-6-propyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione is CCCC1C(=O)NC(CC)(CC)C(=O)N1CCC(F)(F)F.
What is the InChIKey of 3,3-diethyl-6-propyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione?
The InChIKey is UBEHYEVRSAEMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c1-4-7-10-11(20)18-13(5-2,6-3)12(21)19(10)9-8-14(15,16)17/h10H,4-9H2,1-3H3,(H,18,20).
What are the key properties of 3,3-diethyl-6-propyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione?
3,3-diethyl-6-propyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione has a molecular weight of 308.34 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-6-propyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione is sourced from PubChem (CID 64886737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).