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

C14H17FN2O2 — CID 64958037

IUPAC1-(2-fluorophenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCC1NC(=O)C(C(C)C)N(c2ccccc2F)C1=O
InChIInChI=1S/C14H17FN2O2/c1-8(2)12-13(18)16-9(3)14(19)17(12)11-7-5-4-6-10(11)15/h4-9,12H,1-3H3,(H,16,18)
InChIKeyXOINQCKVBXLNTG-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.70
Rot. Bonds2

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

1-(2-fluorophenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 64958037) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
PubChem CID64958037
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name1-(2-fluorophenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCC1NC(=O)C(C(C)C)N(c2ccccc2F)C1=O
InChIInChI=1S/C14H17FN2O2/c1-8(2)12-13(18)16-9(3)14(19)17(12)11-7-5-4-6-10(11)15/h4-9,12H,1-3H3,(H,16,18)
InChIKeyXOINQCKVBXLNTG-UHFFFAOYSA-N
XLogP1.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-2-methylphenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64967227
1-(2-fluorophenyl)-3,6-dimethylpiperazine-2,5-dione
CID 64958027
1-[(2-fluorophenyl)methyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64874080
1-(3-bromo-4-fluorophenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 104781847
1-(4-chloro-3-fluorophenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64964857
3-methyl-1-(3-methylphenyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64959566
1-(3-chloro-5-fluorophenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 107370915
3-methyl-6-propan-2-yl-1-thiophen-3-ylpiperazine-2,5-dione
CID 66354371
1-(2,6-difluorophenyl)-3,6-dimethylpiperazine-2,5-dione
CID 64959859
1-(5-bromo-2-methoxyphenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64966528
1-(2,4-difluorophenyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione
CID 64957844
3-cyclopropyl-1-(2-fluorophenyl)-6-methylpiperazine-2,5-dione
CID 64957931

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(2-fluorophenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione (CID 64958037) is 1-(2-fluorophenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-fluorophenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-fluorophenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione is CC1NC(=O)C(C(C)C)N(c2ccccc2F)C1=O.
What is the InChIKey of 1-(2-fluorophenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is XOINQCKVBXLNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-8(2)12-13(18)16-9(3)14(19)17(12)11-7-5-4-6-10(11)15/h4-9,12H,1-3H3,(H,16,18).
What are the key properties of 1-(2-fluorophenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
1-(2-fluorophenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 264.30 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64958037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).