1-(2-fluoro-5-methylphenyl)-3-propylpiperazine-2,5-dione

C14H17FN2O2 — CID 64959948

IUPAC1-(2-fluoro-5-methylphenyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(c2cc(C)ccc2F)C1=O
InChIInChI=1S/C14H17FN2O2/c1-3-4-11-14(19)17(8-13(18)16-11)12-7-9(2)5-6-10(12)15/h5-7,11H,3-4,8H2,1-2H3,(H,16,18)
InChIKeyJBTDAMWVLTVBTM-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.77
Rot. Bonds3

About 1-(2-fluoro-5-methylphenyl)-3-propylpiperazine-2,5-dione

1-(2-fluoro-5-methylphenyl)-3-propylpiperazine-2,5-dione (PubChem CID 64959948) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-3-propylpiperazine-2,5-dione
PubChem CID64959948
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name1-(2-fluoro-5-methylphenyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(c2cc(C)ccc2F)C1=O
InChIInChI=1S/C14H17FN2O2/c1-3-4-11-14(19)17(8-13(18)16-11)12-7-9(2)5-6-10(12)15/h5-7,11H,3-4,8H2,1-2H3,(H,16,18)
InChIKeyJBTDAMWVLTVBTM-UHFFFAOYSA-N
XLogP1.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-fluorophenyl)-3-propylpiperazine-2,5-dione
CID 64961022
1-(2,4-difluorophenyl)-3-propylpiperazine-2,5-dione
CID 64957820
1-(5-bromo-4-fluoro-2-methylphenyl)-3-propylpiperazine-2,5-dione
CID 107594321
3-tert-butyl-1-(2-fluoro-5-methylphenyl)piperazine-2,5-dione
CID 64959864
1-(2-chlorophenyl)-3-propylpiperazine-2,5-dione
CID 64962555
1-(5-methyl-3-pyridinyl)-3-propylpiperazine-2,5-dione
CID 107587022
1-(3,5-dichloro-4-fluorophenyl)-3-propylpiperazine-2,5-dione
CID 107580202
1-(2,5-difluoro-4-methylphenyl)-3-propyl-1,4-diazepane-2,5-dione
CID 103587690
1-(3,5-dimethoxyphenyl)-3-propylpiperazine-2,5-dione
CID 64956816
1-(4-bromo-3-methylphenyl)-3-propylpiperazine-2,5-dione
CID 64962234
3-ethyl-1-(3-fluoro-4-methylphenyl)piperazine-2,5-dione
CID 64958384
1-(5-bromo-2,4-difluorophenyl)-3-propyl-1,4-diazepane-2,5-dione
CID 102855276

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-3-propylpiperazine-2,5-dione (CID 64959948) is 1-(2-fluoro-5-methylphenyl)-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-3-propylpiperazine-2,5-dione is CCCC1NC(=O)CN(c2cc(C)ccc2F)C1=O.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-3-propylpiperazine-2,5-dione?
The InChIKey is JBTDAMWVLTVBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-3-4-11-14(19)17(8-13(18)16-11)12-7-9(2)5-6-10(12)15/h5-7,11H,3-4,8H2,1-2H3,(H,16,18).
What are the key properties of 1-(2-fluoro-5-methylphenyl)-3-propylpiperazine-2,5-dione?
1-(2-fluoro-5-methylphenyl)-3-propylpiperazine-2,5-dione has a molecular weight of 264.30 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64959948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).