3-cyclopropyl-1-(3-fluorophenyl)-6-methylpiperazine-2,5-dione

C14H15FN2O2 — CID 64955305

IUPAC3-cyclopropyl-1-(3-fluorophenyl)-6-methylpiperazine-2,5-dione
SMILESCC1C(=O)NC(C2CC2)C(=O)N1c1cccc(F)c1
InChIInChI=1S/C14H15FN2O2/c1-8-13(18)16-12(9-5-6-9)14(19)17(8)11-4-2-3-10(15)7-11/h2-4,7-9,12H,5-6H2,1H3,(H,16,18)
InChIKeyOWLVHJLRFSVWEG-UHFFFAOYSA-N
MW262.28 g/mol
LogP1.46
Rot. Bonds2

About 3-cyclopropyl-1-(3-fluorophenyl)-6-methylpiperazine-2,5-dione

3-cyclopropyl-1-(3-fluorophenyl)-6-methylpiperazine-2,5-dione (PubChem CID 64955305) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 3-cyclopropyl-1-(3-fluorophenyl)-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-(3-fluorophenyl)-6-methylpiperazine-2,5-dione
PubChem CID64955305
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name3-cyclopropyl-1-(3-fluorophenyl)-6-methylpiperazine-2,5-dione
SMILESCC1C(=O)NC(C2CC2)C(=O)N1c1cccc(F)c1
InChIInChI=1S/C14H15FN2O2/c1-8-13(18)16-12(9-5-6-9)14(19)17(8)11-4-2-3-10(15)7-11/h2-4,7-9,12H,5-6H2,1H3,(H,16,18)
InChIKeyOWLVHJLRFSVWEG-UHFFFAOYSA-N
XLogP1.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(3-fluorophenyl)-6-methylpiperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-(3-fluorophenyl)-6-methylpiperazine-2,5-dione (CID 64955305) is 3-cyclopropyl-1-(3-fluorophenyl)-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-(3-fluorophenyl)-6-methylpiperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-(3-fluorophenyl)-6-methylpiperazine-2,5-dione is CC1C(=O)NC(C2CC2)C(=O)N1c1cccc(F)c1.
What is the InChIKey of 3-cyclopropyl-1-(3-fluorophenyl)-6-methylpiperazine-2,5-dione?
The InChIKey is OWLVHJLRFSVWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-8-13(18)16-12(9-5-6-9)14(19)17(8)11-4-2-3-10(15)7-11/h2-4,7-9,12H,5-6H2,1H3,(H,16,18).
What are the key properties of 3-cyclopropyl-1-(3-fluorophenyl)-6-methylpiperazine-2,5-dione?
3-cyclopropyl-1-(3-fluorophenyl)-6-methylpiperazine-2,5-dione has a molecular weight of 262.28 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(3-fluorophenyl)-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 64955305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).