3,3,6-triethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione

C14H21F3N2O2 — CID 106210995

IUPAC3,3,6-triethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione
SMILESCCC1C(=O)NC(CC)(CC)C(=O)N1C1(C(F)(F)F)CC1
InChIInChI=1S/C14H21F3N2O2/c1-4-9-10(20)18-12(5-2,6-3)11(21)19(9)13(7-8-13)14(15,16)17/h9H,4-8H2,1-3H3,(H,18,20)
InChIKeyULPWZMGHWNSVLN-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.38
Rot. Bonds4

About 3,3,6-triethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione

3,3,6-triethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione (PubChem CID 106210995) has the molecular formula C14H21F3N2O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 3,3,6-triethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3,3,6-triethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione
PubChem CID106210995
Molecular FormulaC14H21F3N2O2
Molecular Weight306.33 g/mol
Exact Mass306.16
IUPAC Name3,3,6-triethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione
SMILESCCC1C(=O)NC(CC)(CC)C(=O)N1C1(C(F)(F)F)CC1
InChIInChI=1S/C14H21F3N2O2/c1-4-9-10(20)18-12(5-2,6-3)11(21)19(9)13(7-8-13)14(15,16)17/h9H,4-8H2,1-3H3,(H,18,20)
InChIKeyULPWZMGHWNSVLN-UHFFFAOYSA-N
XLogP2.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-6-ethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione
CID 106210920
6-ethyl-3-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione
CID 106211013
3,3,6-triethyl-1-(3-ethylpentan-3-yl)piperazine-2,5-dione
CID 65043214
3-ethyl-3,6-dimethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione
CID 106210991
3,3-diethyl-6-methyl-1-(1-methylcyclopropyl)piperazine-2,5-dione
CID 113486061
1-(2-cyclopentylethyl)-3,3,6-triethylpiperazine-2,5-dione
CID 64964115
1-(4-bromophenyl)-3,3,6-triethylpiperazine-2,5-dione
CID 64962532
3-methyl-4-[1-(trifluoromethyl)cyclopropyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 106210939
8-ethyl-9-(1-methylcyclopentyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64973613
3,3,6-triethyl-1-(oxolan-3-ylmethyl)piperazine-2,5-dione
CID 64886924
3,3-diethyl-1,6-dipropylpiperazine-2,5-dione
CID 64886735
8-ethyl-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64885889

Frequently Asked Questions

What is the IUPAC name of 3,3,6-triethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione?
The IUPAC name of 3,3,6-triethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione (CID 106210995) is 3,3,6-triethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione.
What is the SMILES notation for 3,3,6-triethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione?
The canonical SMILES for 3,3,6-triethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione is CCC1C(=O)NC(CC)(CC)C(=O)N1C1(C(F)(F)F)CC1.
What is the InChIKey of 3,3,6-triethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione?
The InChIKey is ULPWZMGHWNSVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O2/c1-4-9-10(20)18-12(5-2,6-3)11(21)19(9)13(7-8-13)14(15,16)17/h9H,4-8H2,1-3H3,(H,18,20).
What are the key properties of 3,3,6-triethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione?
3,3,6-triethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione has a molecular weight of 306.33 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6-triethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione is sourced from PubChem (CID 106210995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).