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

C15H19FN2O2 — CID 64967227

IUPAC1-(3-fluoro-2-methylphenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCc1c(F)cccc1N1C(=O)C(C)NC(=O)C1C(C)C
InChIInChI=1S/C15H19FN2O2/c1-8(2)13-14(19)17-10(4)15(20)18(13)12-7-5-6-11(16)9(12)3/h5-8,10,13H,1-4H3,(H,17,19)
InChIKeyPSIFVUJJGRSBGI-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.01
Rot. Bonds2

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

1-(3-fluoro-2-methylphenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 64967227) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 1-(3-fluoro-2-methylphenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-fluoro-2-methylphenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
PubChem CID64967227
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name1-(3-fluoro-2-methylphenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCc1c(F)cccc1N1C(=O)C(C)NC(=O)C1C(C)C
InChIInChI=1S/C15H19FN2O2/c1-8(2)13-14(19)17-10(4)15(20)18(13)12-7-5-6-11(16)9(12)3/h5-8,10,13H,1-4H3,(H,17,19)
InChIKeyPSIFVUJJGRSBGI-UHFFFAOYSA-N
XLogP2.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64958037
3-methyl-1-(3-methylphenyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64959566
1-(2,6-difluorophenyl)-3,6-dimethylpiperazine-2,5-dione
CID 64959859
1-[(2-fluorophenyl)methyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64874080
1-(4-chloro-3-fluorophenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64964857
1-(3-bromo-4-fluorophenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 104781847
1-(3-chloro-5-fluorophenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 107370915
1-(2-fluorophenyl)-3,6-dimethylpiperazine-2,5-dione
CID 64958027
3-methyl-6-propan-2-yl-1-thiophen-3-ylpiperazine-2,5-dione
CID 66354371
3-methyl-1-(5-methyl-3-pyridinyl)-6-propan-2-ylpiperazine-2,5-dione
CID 107587007
1-(2,3-difluorophenyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 64963920
1-(5-bromo-2-methoxyphenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64966528

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-methylphenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(3-fluoro-2-methylphenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione (CID 64967227) is 1-(3-fluoro-2-methylphenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3-fluoro-2-methylphenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(3-fluoro-2-methylphenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione is Cc1c(F)cccc1N1C(=O)C(C)NC(=O)C1C(C)C.
What is the InChIKey of 1-(3-fluoro-2-methylphenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is PSIFVUJJGRSBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-8(2)13-14(19)17-10(4)15(20)18(13)12-7-5-6-11(16)9(12)3/h5-8,10,13H,1-4H3,(H,17,19).
What are the key properties of 1-(3-fluoro-2-methylphenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
1-(3-fluoro-2-methylphenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 278.33 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-methylphenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64967227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).