3-cyclohexyl-6-ethyl-1-(2-fluoroethyl)-6-methylpiperazine-2,5-dione

C15H25FN2O2 — CID 80697905

IUPAC3-cyclohexyl-6-ethyl-1-(2-fluoroethyl)-6-methylpiperazine-2,5-dione
SMILESCCC1(C)C(=O)NC(C2CCCCC2)C(=O)N1CCF
InChIInChI=1S/C15H25FN2O2/c1-3-15(2)14(20)17-12(11-7-5-4-6-8-11)13(19)18(15)10-9-16/h11-12H,3-10H2,1-2H3,(H,17,20)
InChIKeyVYCHEYVOUUVNKS-UHFFFAOYSA-N
MW284.37 g/mol
LogP2.03
Rot. Bonds4

About 3-cyclohexyl-6-ethyl-1-(2-fluoroethyl)-6-methylpiperazine-2,5-dione

3-cyclohexyl-6-ethyl-1-(2-fluoroethyl)-6-methylpiperazine-2,5-dione (PubChem CID 80697905) has the molecular formula C15H25FN2O2 and a molecular weight of 284.37 g/mol. Its IUPAC name is 3-cyclohexyl-6-ethyl-1-(2-fluoroethyl)-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclohexyl-6-ethyl-1-(2-fluoroethyl)-6-methylpiperazine-2,5-dione
PubChem CID80697905
Molecular FormulaC15H25FN2O2
Molecular Weight284.37 g/mol
Exact Mass284.19
IUPAC Name3-cyclohexyl-6-ethyl-1-(2-fluoroethyl)-6-methylpiperazine-2,5-dione
SMILESCCC1(C)C(=O)NC(C2CCCCC2)C(=O)N1CCF
InChIInChI=1S/C15H25FN2O2/c1-3-15(2)14(20)17-12(11-7-5-4-6-8-11)13(19)18(15)10-9-16/h11-12H,3-10H2,1-2H3,(H,17,20)
InChIKeyVYCHEYVOUUVNKS-UHFFFAOYSA-N
XLogP2.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-cyclohexyl-6-ethyl-1-(2-fluoroethyl)-6-methylpiperazine-2,5-dione with MolForge

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Related Compounds

3-cyclopropyl-6-ethyl-6-methyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
CID 64887340
3-cyclopropyl-6,6-diethyl-1-(2-fluoroethyl)piperazine-2,5-dione
CID 80696460
3-cyclopropyl-6-ethyl-6-methyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione
CID 64887154
3-cyclopropyl-6-ethyl-1,6-dimethylpiperazine-2,5-dione
CID 64887335
1-benzyl-3-cyclopropyl-6-ethyl-6-methylpiperazine-2,5-dione
CID 64887146
6-ethyl-1-(3-fluoropropyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 81113360
3-cyclopropyl-6,6-dimethyl-1-pentylpiperazine-2,5-dione
CID 64886773
6-ethyl-3,6-dimethyl-1-propylpiperazine-2,5-dione
CID 64874502
3-ethyl-1-(2-fluoroethyl)-6,6-dimethylpiperazine-2,5-dione
CID 80696451
8-cyclohexyl-6-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64885846
1-(cyclopentylmethyl)-6-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64873515
1-cycloheptyl-6-ethyl-6-methyl-3-propylpiperazine-2,5-dione
CID 82924165

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-6-ethyl-1-(2-fluoroethyl)-6-methylpiperazine-2,5-dione?
The IUPAC name of 3-cyclohexyl-6-ethyl-1-(2-fluoroethyl)-6-methylpiperazine-2,5-dione (CID 80697905) is 3-cyclohexyl-6-ethyl-1-(2-fluoroethyl)-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 3-cyclohexyl-6-ethyl-1-(2-fluoroethyl)-6-methylpiperazine-2,5-dione?
The canonical SMILES for 3-cyclohexyl-6-ethyl-1-(2-fluoroethyl)-6-methylpiperazine-2,5-dione is CCC1(C)C(=O)NC(C2CCCCC2)C(=O)N1CCF.
What is the InChIKey of 3-cyclohexyl-6-ethyl-1-(2-fluoroethyl)-6-methylpiperazine-2,5-dione?
The InChIKey is VYCHEYVOUUVNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O2/c1-3-15(2)14(20)17-12(11-7-5-4-6-8-11)13(19)18(15)10-9-16/h11-12H,3-10H2,1-2H3,(H,17,20).
What are the key properties of 3-cyclohexyl-6-ethyl-1-(2-fluoroethyl)-6-methylpiperazine-2,5-dione?
3-cyclohexyl-6-ethyl-1-(2-fluoroethyl)-6-methylpiperazine-2,5-dione has a molecular weight of 284.37 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-6-ethyl-1-(2-fluoroethyl)-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 80697905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).