1-[(5-fluoro-2-methylphenyl)methyl]piperazine-2,5-dione

C12H13FN2O2 — CID 105375774

IUPAC1-[(5-fluoro-2-methylphenyl)methyl]piperazine-2,5-dione
SMILESCc1ccc(F)cc1CN1CC(=O)NCC1=O
InChIInChI=1S/C12H13FN2O2/c1-8-2-3-10(13)4-9(8)6-15-7-11(16)14-5-12(15)17/h2-4H,5-7H2,1H3,(H,14,16)
InChIKeyWYNPKOMRLALIIQ-UHFFFAOYSA-N
MW236.25 g/mol
LogP0.59
Rot. Bonds2

About 1-[(5-fluoro-2-methylphenyl)methyl]piperazine-2,5-dione

1-[(5-fluoro-2-methylphenyl)methyl]piperazine-2,5-dione (PubChem CID 105375774) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 1-[(5-fluoro-2-methylphenyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name1-[(5-fluoro-2-methylphenyl)methyl]piperazine-2,5-dione
PubChem CID105375774
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name1-[(5-fluoro-2-methylphenyl)methyl]piperazine-2,5-dione
SMILESCc1ccc(F)cc1CN1CC(=O)NCC1=O
InChIInChI=1S/C12H13FN2O2/c1-8-2-3-10(13)4-9(8)6-15-7-11(16)14-5-12(15)17/h2-4H,5-7H2,1H3,(H,14,16)
InChIKeyWYNPKOMRLALIIQ-UHFFFAOYSA-N
XLogP0.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-fluoro-2-methylphenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 105375794
[1-[(5-fluoro-2-methylphenyl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675930
3-ethyl-1-[(5-fluoro-2-methylphenyl)methyl]-3-methyl-1,4-diazepane-2,5-dione
CID 105375827
6-amino-2-[(5-fluoro-2-methylphenyl)methyl]-3H-isoindol-1-one
CID 105374797
1-(1,2-oxazol-5-ylmethyl)piperazine-2,5-dione
CID 106422160
1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroquinolin-4-one
CID 105371718
S-[1-[(5-fluoro-2-methylphenyl)methyl]-5-oxopyrrolidin-3-yl] ethanethioate
CID 168705499
1-[(2,5-difluorophenyl)methyl]-3-ethyl-3-methylpiperazine-2,5-dione
CID 64884495
1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 22975139
1-(1,3-benzodioxol-5-ylmethyl)piperazine-2,5-dione
CID 64955374
1-(4-fluorophenyl)piperazine-2,5-dione
CID 64955202
1-ethyl-3-[(5-fluoro-2-methylphenyl)methyl]imidazol-2-one
CID 105375362

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-methylphenyl)methyl]piperazine-2,5-dione?
The IUPAC name of 1-[(5-fluoro-2-methylphenyl)methyl]piperazine-2,5-dione (CID 105375774) is 1-[(5-fluoro-2-methylphenyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 1-[(5-fluoro-2-methylphenyl)methyl]piperazine-2,5-dione?
The canonical SMILES for 1-[(5-fluoro-2-methylphenyl)methyl]piperazine-2,5-dione is Cc1ccc(F)cc1CN1CC(=O)NCC1=O.
What is the InChIKey of 1-[(5-fluoro-2-methylphenyl)methyl]piperazine-2,5-dione?
The InChIKey is WYNPKOMRLALIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c1-8-2-3-10(13)4-9(8)6-15-7-11(16)14-5-12(15)17/h2-4H,5-7H2,1H3,(H,14,16).
What are the key properties of 1-[(5-fluoro-2-methylphenyl)methyl]piperazine-2,5-dione?
1-[(5-fluoro-2-methylphenyl)methyl]piperazine-2,5-dione has a molecular weight of 236.25 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2-methylphenyl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 105375774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).