1-(4-fluoro-2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione

C14H17FN2O2 — CID 64957960

IUPAC1-(4-fluoro-2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCc1cc(F)ccc1N1CC(=O)NC(C(C)C)C1=O
InChIInChI=1S/C14H17FN2O2/c1-8(2)13-14(19)17(7-12(18)16-13)11-5-4-10(15)6-9(11)3/h4-6,8,13H,7H2,1-3H3,(H,16,18)
InChIKeyHEOXHZFCNSYADF-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.62
Rot. Bonds2

About 1-(4-fluoro-2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione

1-(4-fluoro-2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 64957960) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
PubChem CID64957960
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name1-(4-fluoro-2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCc1cc(F)ccc1N1CC(=O)NC(C(C)C)C1=O
InChIInChI=1S/C14H17FN2O2/c1-8(2)13-14(19)17(7-12(18)16-13)11-5-4-10(15)6-9(11)3/h4-6,8,13H,7H2,1-3H3,(H,16,18)
InChIKeyHEOXHZFCNSYADF-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64957903
1-(2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64959453
1-(5-chloro-2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64961548
1-(2-chloro-4-iodophenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 107604202
1-(2,6-difluorophenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64959883
3-butan-2-yl-1-(2-chloro-5-fluorophenyl)piperazine-2,5-dione
CID 107531624
1-(2-bromophenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64962438
1-(4-bromo-3-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64962128
1-[(2,4-difluorophenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64879364
1-phenyl-3-propan-2-ylpiperazine-2,5-dione
CID 64958767
3-cyclopropyl-1-(4-fluoro-2-methylphenyl)-3-methylpiperazine-2,5-dione
CID 64958067
1-(2,3-dihydro-1H-inden-5-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64956720

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione (CID 64957960) is 1-(4-fluoro-2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione is Cc1cc(F)ccc1N1CC(=O)NC(C(C)C)C1=O.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is HEOXHZFCNSYADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-8(2)13-14(19)17(7-12(18)16-13)11-5-4-10(15)6-9(11)3/h4-6,8,13H,7H2,1-3H3,(H,16,18).
What are the key properties of 1-(4-fluoro-2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione?
1-(4-fluoro-2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 264.30 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64957960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).