1-[(2,6-difluorophenyl)methyl]-3-propylpiperazine-2,5-dione

C14H16F2N2O2 — CID 114934698

IUPAC1-[(2,6-difluorophenyl)methyl]-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(Cc2c(F)cccc2F)C1=O
InChIInChI=1S/C14H16F2N2O2/c1-2-4-12-14(20)18(8-13(19)17-12)7-9-10(15)5-3-6-11(9)16/h3,5-6,12H,2,4,7-8H2,1H3,(H,17,19)
InChIKeyLGBVNWKAIUCWHU-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.59
Rot. Bonds4

About 1-[(2,6-difluorophenyl)methyl]-3-propylpiperazine-2,5-dione

1-[(2,6-difluorophenyl)methyl]-3-propylpiperazine-2,5-dione (PubChem CID 114934698) has the molecular formula C14H16F2N2O2 and a molecular weight of 282.29 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]-3-propylpiperazine-2,5-dione
PubChem CID114934698
Molecular FormulaC14H16F2N2O2
Molecular Weight282.29 g/mol
Exact Mass282.12
IUPAC Name1-[(2,6-difluorophenyl)methyl]-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(Cc2c(F)cccc2F)C1=O
InChIInChI=1S/C14H16F2N2O2/c1-2-4-12-14(20)18(8-13(19)17-12)7-9-10(15)5-3-6-11(9)16/h3,5-6,12H,2,4,7-8H2,1H3,(H,17,19)
InChIKeyLGBVNWKAIUCWHU-UHFFFAOYSA-N
XLogP1.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chloro-6-fluorophenyl)methyl]-3-propylpiperazine-2,5-dione
CID 64880744
1-[(4-chlorophenyl)methyl]-3-propylpiperazine-2,5-dione
CID 64880938
1-[(2-methoxyphenyl)methyl]-3-propylpiperazine-2,5-dione
CID 64878854
1-(1,2-oxazol-3-ylmethyl)-3-propylpiperazine-2,5-dione
CID 81174153
1-butyl-3-propylpiperazine-2,5-dione
CID 64879982
1-[(2-methylpyrimidin-4-yl)methyl]-3-propylpiperazine-2,5-dione
CID 64967691
1-[(2,3-difluorophenyl)methyl]-3-methylpiperazine-2,5-dione
CID 64880729
1-(2-phenylpropyl)-3-propylpiperazine-2,5-dione
CID 104592447
1-[(2-chloro-3-fluorophenyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione
CID 115984519
1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3-propylpiperazine-2,5-dione
CID 64879792
3-ethyl-1-[2-(2-fluorophenyl)ethyl]piperazine-2,5-dione
CID 64956994
1-(2,4-difluorophenyl)-3-propylpiperazine-2,5-dione
CID 64957820

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-3-propylpiperazine-2,5-dione (CID 114934698) is 1-[(2,6-difluorophenyl)methyl]-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-3-propylpiperazine-2,5-dione is CCCC1NC(=O)CN(Cc2c(F)cccc2F)C1=O.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]-3-propylpiperazine-2,5-dione?
The InChIKey is LGBVNWKAIUCWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O2/c1-2-4-12-14(20)18(8-13(19)17-12)7-9-10(15)5-3-6-11(9)16/h3,5-6,12H,2,4,7-8H2,1H3,(H,17,19).
What are the key properties of 1-[(2,6-difluorophenyl)methyl]-3-propylpiperazine-2,5-dione?
1-[(2,6-difluorophenyl)methyl]-3-propylpiperazine-2,5-dione has a molecular weight of 282.29 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methyl]-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 114934698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).