3-cyclopropyl-1-(2,4,5-trifluorophenyl)piperazine-2,5-dione

C13H11F3N2O2 — CID 64969795

IUPAC3-cyclopropyl-1-(2,4,5-trifluorophenyl)piperazine-2,5-dione
SMILESO=C1CN(c2cc(F)c(F)cc2F)C(=O)C(C2CC2)N1
InChIInChI=1S/C13H11F3N2O2/c14-7-3-9(16)10(4-8(7)15)18-5-11(19)17-12(13(18)20)6-1-2-6/h3-4,6,12H,1-2,5H2,(H,17,19)
InChIKeyNSZQWHKBDPKYNE-UHFFFAOYSA-N
MW284.24 g/mol
LogP1.35
Rot. Bonds2

About 3-cyclopropyl-1-(2,4,5-trifluorophenyl)piperazine-2,5-dione

3-cyclopropyl-1-(2,4,5-trifluorophenyl)piperazine-2,5-dione (PubChem CID 64969795) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2,4,5-trifluorophenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-(2,4,5-trifluorophenyl)piperazine-2,5-dione
PubChem CID64969795
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name3-cyclopropyl-1-(2,4,5-trifluorophenyl)piperazine-2,5-dione
SMILESO=C1CN(c2cc(F)c(F)cc2F)C(=O)C(C2CC2)N1
InChIInChI=1S/C13H11F3N2O2/c14-7-3-9(16)10(4-8(7)15)18-5-11(19)17-12(13(18)20)6-1-2-6/h3-4,6,12H,1-2,5H2,(H,17,19)
InChIKeyNSZQWHKBDPKYNE-UHFFFAOYSA-N
XLogP1.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-5-fluorophenyl)-3-cyclopropylpiperazine-2,5-dione
CID 107531619
3-cyclopropyl-1-(2,6-difluorophenyl)piperazine-2,5-dione
CID 64959895
3-cyclopropyl-1-(3,5-dichloro-4-fluorophenyl)piperazine-2,5-dione
CID 107580233
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
3-cyclopropyl-1-(3,5-dimethylphenyl)piperazine-2,5-dione
CID 64959039
1-(5-chloro-2-methoxyphenyl)-3-cyclopropylpiperazine-2,5-dione
CID 64961745
1-(3-chloro-2-methylphenyl)-3-cyclopropylpiperazine-2,5-dione
CID 64962241
3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]piperazine-2,5-dione
CID 64956925
1-(3-chlorophenyl)-3-cyclopropylpiperazine-2,5-dione
CID 64961221
1-(3-bromo-5-methoxyphenyl)-3-cyclopropylpiperazine-2,5-dione
CID 82859322
1-(2,5-difluoro-4-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 103587706

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2,4,5-trifluorophenyl)piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-(2,4,5-trifluorophenyl)piperazine-2,5-dione (CID 64969795) is 3-cyclopropyl-1-(2,4,5-trifluorophenyl)piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-(2,4,5-trifluorophenyl)piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-(2,4,5-trifluorophenyl)piperazine-2,5-dione is O=C1CN(c2cc(F)c(F)cc2F)C(=O)C(C2CC2)N1.
What is the InChIKey of 3-cyclopropyl-1-(2,4,5-trifluorophenyl)piperazine-2,5-dione?
The InChIKey is NSZQWHKBDPKYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c14-7-3-9(16)10(4-8(7)15)18-5-11(19)17-12(13(18)20)6-1-2-6/h3-4,6,12H,1-2,5H2,(H,17,19).
What are the key properties of 3-cyclopropyl-1-(2,4,5-trifluorophenyl)piperazine-2,5-dione?
3-cyclopropyl-1-(2,4,5-trifluorophenyl)piperazine-2,5-dione has a molecular weight of 284.24 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2,4,5-trifluorophenyl)piperazine-2,5-dione is sourced from PubChem (CID 64969795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).