3-cyclopropyl-1-(4-fluoro-2-methylphenyl)-3-methylpiperazine-2,5-dione

C15H17FN2O2 — CID 64958067

IUPAC3-cyclopropyl-1-(4-fluoro-2-methylphenyl)-3-methylpiperazine-2,5-dione
SMILESCc1cc(F)ccc1N1CC(=O)NC(C)(C2CC2)C1=O
InChIInChI=1S/C15H17FN2O2/c1-9-7-11(16)5-6-12(9)18-8-13(19)17-15(2,14(18)20)10-3-4-10/h5-7,10H,3-4,8H2,1-2H3,(H,17,19)
InChIKeyWATMYZQDBVIUHO-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.77
Rot. Bonds2

About 3-cyclopropyl-1-(4-fluoro-2-methylphenyl)-3-methylpiperazine-2,5-dione

3-cyclopropyl-1-(4-fluoro-2-methylphenyl)-3-methylpiperazine-2,5-dione (PubChem CID 64958067) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 3-cyclopropyl-1-(4-fluoro-2-methylphenyl)-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-(4-fluoro-2-methylphenyl)-3-methylpiperazine-2,5-dione
PubChem CID64958067
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name3-cyclopropyl-1-(4-fluoro-2-methylphenyl)-3-methylpiperazine-2,5-dione
SMILESCc1cc(F)ccc1N1CC(=O)NC(C)(C2CC2)C1=O
InChIInChI=1S/C15H17FN2O2/c1-9-7-11(16)5-6-12(9)18-8-13(19)17-15(2,14(18)20)10-3-4-10/h5-7,10H,3-4,8H2,1-2H3,(H,17,19)
InChIKeyWATMYZQDBVIUHO-UHFFFAOYSA-N
XLogP1.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-1-(2,4-difluorophenyl)-3-methylpiperazine-2,5-dione
CID 64957821
1-(5-chloro-2-methylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione
CID 64961466
3-cyclopropyl-1-(4-fluoro-2-methylphenyl)-3,6-dimethylpiperazine-2,5-dione
CID 64958019
1-(2-chloro-4-fluorophenyl)-3-cyclopropyl-3-methyl-1,4-diazepane-2,5-dione
CID 64961517
3-cyclopropyl-3-methyl-1-(2,4,5-trichlorophenyl)piperazine-2,5-dione
CID 64962108
3-cyclopropyl-1-(3,5-dimethylphenyl)-3-methylpiperazine-2,5-dione
CID 64958945
1-(4-bromo-3,5-dimethylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione
CID 107580172
3-cyclopropyl-1-(3,5-dichloro-4-fluorophenyl)-3-methylpiperazine-2,5-dione
CID 107580238
1-(3-bromo-4-methylphenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione
CID 64970712
3-cyclopropyl-3-methyl-1-(3-methylphenyl)piperazine-2,5-dione
CID 64959497
1-(4-chloro-3-fluorophenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione
CID 64964941
1-(2-bromo-4,6-difluorophenyl)-3-cyclopropyl-3-methylpiperazine-2,5-dione
CID 64963383

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(4-fluoro-2-methylphenyl)-3-methylpiperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-(4-fluoro-2-methylphenyl)-3-methylpiperazine-2,5-dione (CID 64958067) is 3-cyclopropyl-1-(4-fluoro-2-methylphenyl)-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-(4-fluoro-2-methylphenyl)-3-methylpiperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-(4-fluoro-2-methylphenyl)-3-methylpiperazine-2,5-dione is Cc1cc(F)ccc1N1CC(=O)NC(C)(C2CC2)C1=O.
What is the InChIKey of 3-cyclopropyl-1-(4-fluoro-2-methylphenyl)-3-methylpiperazine-2,5-dione?
The InChIKey is WATMYZQDBVIUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-9-7-11(16)5-6-12(9)18-8-13(19)17-15(2,14(18)20)10-3-4-10/h5-7,10H,3-4,8H2,1-2H3,(H,17,19).
What are the key properties of 3-cyclopropyl-1-(4-fluoro-2-methylphenyl)-3-methylpiperazine-2,5-dione?
3-cyclopropyl-1-(4-fluoro-2-methylphenyl)-3-methylpiperazine-2,5-dione has a molecular weight of 276.31 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(4-fluoro-2-methylphenyl)-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64958067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).