1-(2-fluoroethyl)-6-methyl-6-phenyl-3-propan-2-ylpiperazine-2,5-dione

C16H21FN2O2 — CID 80697567

IUPAC1-(2-fluoroethyl)-6-methyl-6-phenyl-3-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1NC(=O)C(C)(c2ccccc2)N(CCF)C1=O
InChIInChI=1S/C16H21FN2O2/c1-11(2)13-14(20)19(10-9-17)16(3,15(21)18-13)12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,18,21)
InChIKeyACAXCAKIRCWJPZ-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.85
Rot. Bonds4

About 1-(2-fluoroethyl)-6-methyl-6-phenyl-3-propan-2-ylpiperazine-2,5-dione

1-(2-fluoroethyl)-6-methyl-6-phenyl-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 80697567) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-6-methyl-6-phenyl-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-fluoroethyl)-6-methyl-6-phenyl-3-propan-2-ylpiperazine-2,5-dione
PubChem CID80697567
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name1-(2-fluoroethyl)-6-methyl-6-phenyl-3-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1NC(=O)C(C)(c2ccccc2)N(CCF)C1=O
InChIInChI=1S/C16H21FN2O2/c1-11(2)13-14(20)19(10-9-17)16(3,15(21)18-13)12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,18,21)
InChIKeyACAXCAKIRCWJPZ-UHFFFAOYSA-N
XLogP1.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-6-methyl-6-phenyl-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(2-fluoroethyl)-6-methyl-6-phenyl-3-propan-2-ylpiperazine-2,5-dione (CID 80697567) is 1-(2-fluoroethyl)-6-methyl-6-phenyl-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-fluoroethyl)-6-methyl-6-phenyl-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-fluoroethyl)-6-methyl-6-phenyl-3-propan-2-ylpiperazine-2,5-dione is CC(C)C1NC(=O)C(C)(c2ccccc2)N(CCF)C1=O.
What is the InChIKey of 1-(2-fluoroethyl)-6-methyl-6-phenyl-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is ACAXCAKIRCWJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-11(2)13-14(20)19(10-9-17)16(3,15(21)18-13)12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,18,21).
What are the key properties of 1-(2-fluoroethyl)-6-methyl-6-phenyl-3-propan-2-ylpiperazine-2,5-dione?
1-(2-fluoroethyl)-6-methyl-6-phenyl-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 292.35 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-6-methyl-6-phenyl-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 80697567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).