1-(2-chloro-5-fluorophenyl)-3-cyclopropylpiperazine-2,5-dione

C13H12ClFN2O2 — CID 107531619

IUPAC1-(2-chloro-5-fluorophenyl)-3-cyclopropylpiperazine-2,5-dione
SMILESO=C1CN(c2cc(F)ccc2Cl)C(=O)C(C2CC2)N1
InChIInChI=1S/C13H12ClFN2O2/c14-9-4-3-8(15)5-10(9)17-6-11(18)16-12(13(17)19)7-1-2-7/h3-5,7,12H,1-2,6H2,(H,16,18)
InChIKeyJPISAFFJXGNCGI-UHFFFAOYSA-N
MW282.70 g/mol
LogP1.72
Rot. Bonds2

About 1-(2-chloro-5-fluorophenyl)-3-cyclopropylpiperazine-2,5-dione

1-(2-chloro-5-fluorophenyl)-3-cyclopropylpiperazine-2,5-dione (PubChem CID 107531619) has the molecular formula C13H12ClFN2O2 and a molecular weight of 282.70 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-3-cyclopropylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-3-cyclopropylpiperazine-2,5-dione
PubChem CID107531619
Molecular FormulaC13H12ClFN2O2
Molecular Weight282.70 g/mol
Exact Mass282.06
IUPAC Name1-(2-chloro-5-fluorophenyl)-3-cyclopropylpiperazine-2,5-dione
SMILESO=C1CN(c2cc(F)ccc2Cl)C(=O)C(C2CC2)N1
InChIInChI=1S/C13H12ClFN2O2/c14-9-4-3-8(15)5-10(9)17-6-11(18)16-12(13(17)19)7-1-2-7/h3-5,7,12H,1-2,6H2,(H,16,18)
InChIKeyJPISAFFJXGNCGI-UHFFFAOYSA-N
XLogP1.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.70
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-1-(3,5-dichloro-4-fluorophenyl)piperazine-2,5-dione
CID 107580233
3-cyclopropyl-1-(2,4,5-trifluorophenyl)piperazine-2,5-dione
CID 64969795
3-butan-2-yl-1-(2-chloro-5-fluorophenyl)piperazine-2,5-dione
CID 107531624
1-(3-chloro-2-methylphenyl)-3-cyclopropylpiperazine-2,5-dione
CID 64962241
1-(3-chlorophenyl)-3-cyclopropylpiperazine-2,5-dione
CID 64961221
1-(5-chloro-2-methoxyphenyl)-3-cyclopropylpiperazine-2,5-dione
CID 64961745
3-cyclopropyl-1-(2,6-difluorophenyl)piperazine-2,5-dione
CID 64959895
1-(3-bromo-4-fluorophenyl)-3-cyclopropylpiperazine-2,5-dione
CID 104781831
3-cyclopropyl-1-(4-fluoro-3-methylphenyl)piperazine-2,5-dione
CID 64969701
4-(2-chloro-5-fluorophenyl)piperazine-2,6-dione
CID 107531477
3-tert-butyl-1-(2-chloro-5-fluorophenyl)-1,4-diazepane-2,5-dione
CID 107531603
1-(2-chloro-5-fluorophenyl)-3,3-diethylpiperazine-2,5-dione
CID 107531646

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-cyclopropylpiperazine-2,5-dione?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-cyclopropylpiperazine-2,5-dione (CID 107531619) is 1-(2-chloro-5-fluorophenyl)-3-cyclopropylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-3-cyclopropylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-3-cyclopropylpiperazine-2,5-dione is O=C1CN(c2cc(F)ccc2Cl)C(=O)C(C2CC2)N1.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-3-cyclopropylpiperazine-2,5-dione?
The InChIKey is JPISAFFJXGNCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O2/c14-9-4-3-8(15)5-10(9)17-6-11(18)16-12(13(17)19)7-1-2-7/h3-5,7,12H,1-2,6H2,(H,16,18).
What are the key properties of 1-(2-chloro-5-fluorophenyl)-3-cyclopropylpiperazine-2,5-dione?
1-(2-chloro-5-fluorophenyl)-3-cyclopropylpiperazine-2,5-dione has a molecular weight of 282.70 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-3-cyclopropylpiperazine-2,5-dione is sourced from PubChem (CID 107531619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).