3,3-diethyl-1-(2-fluoroethyl)-6-phenylpiperazine-2,5-dione

C16H21FN2O2 — CID 80696421

IUPAC3,3-diethyl-1-(2-fluoroethyl)-6-phenylpiperazine-2,5-dione
SMILESCCC1(CC)NC(=O)C(c2ccccc2)N(CCF)C1=O
InChIInChI=1S/C16H21FN2O2/c1-3-16(4-2)15(21)19(11-10-17)13(14(20)18-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3,(H,18,20)
InChIKeyCIOWHALZUZULFX-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.21
Rot. Bonds5

About 3,3-diethyl-1-(2-fluoroethyl)-6-phenylpiperazine-2,5-dione

3,3-diethyl-1-(2-fluoroethyl)-6-phenylpiperazine-2,5-dione (PubChem CID 80696421) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 3,3-diethyl-1-(2-fluoroethyl)-6-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name3,3-diethyl-1-(2-fluoroethyl)-6-phenylpiperazine-2,5-dione
PubChem CID80696421
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name3,3-diethyl-1-(2-fluoroethyl)-6-phenylpiperazine-2,5-dione
SMILESCCC1(CC)NC(=O)C(c2ccccc2)N(CCF)C1=O
InChIInChI=1S/C16H21FN2O2/c1-3-16(4-2)15(21)19(11-10-17)13(14(20)18-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3,(H,18,20)
InChIKeyCIOWHALZUZULFX-UHFFFAOYSA-N
XLogP2.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-diethyl-6-phenyl-1-prop-2-enylpiperazine-2,5-dione
CID 64885216
3-cyclopropyl-1-(2-fluoroethyl)-3-methyl-6-phenylpiperazine-2,5-dione
CID 80696289
1-(2-fluoroethyl)-6-phenylpiperazine-2,5-dione
CID 80696629
3,3-dimethyl-1-pent-4-ynyl-6-phenylpiperazine-2,5-dione
CID 106222095
3,3-diethyl-6-methyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione
CID 64887687
1-ethyl-6-phenyl-1,3-diazinane-2,4,5-trione
CID 141433324
3,3-diethyl-1-(2-fluorophenyl)-6-methylpiperazine-2,5-dione
CID 64958015
3,3-diethyl-1,6-dipropylpiperazine-2,5-dione
CID 64886735
(5S)-1-benzyl-5-phenylimidazolidine-2,4-dione
CID 28819549
3,3-diethyl-6-methyl-1-[(4-methylphenyl)methyl]piperazine-2,5-dione
CID 64887112
3,3-diethyl-1-(2-methoxyethyl)-6-methylpiperazine-2,5-dione
CID 64884815
3-benzyl-5,5-diethylimidazolidine-2,4-dione
CID 7181081

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-(2-fluoroethyl)-6-phenylpiperazine-2,5-dione?
The IUPAC name of 3,3-diethyl-1-(2-fluoroethyl)-6-phenylpiperazine-2,5-dione (CID 80696421) is 3,3-diethyl-1-(2-fluoroethyl)-6-phenylpiperazine-2,5-dione.
What is the SMILES notation for 3,3-diethyl-1-(2-fluoroethyl)-6-phenylpiperazine-2,5-dione?
The canonical SMILES for 3,3-diethyl-1-(2-fluoroethyl)-6-phenylpiperazine-2,5-dione is CCC1(CC)NC(=O)C(c2ccccc2)N(CCF)C1=O.
What is the InChIKey of 3,3-diethyl-1-(2-fluoroethyl)-6-phenylpiperazine-2,5-dione?
The InChIKey is CIOWHALZUZULFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-3-16(4-2)15(21)19(11-10-17)13(14(20)18-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3,(H,18,20).
What are the key properties of 3,3-diethyl-1-(2-fluoroethyl)-6-phenylpiperazine-2,5-dione?
3,3-diethyl-1-(2-fluoroethyl)-6-phenylpiperazine-2,5-dione has a molecular weight of 292.35 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-(2-fluoroethyl)-6-phenylpiperazine-2,5-dione is sourced from PubChem (CID 80696421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).