1-[2-(2-fluorophenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione

C15H19FN2O2 — CID 64957110

IUPAC1-[2-(2-fluorophenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1C(=O)NCC(=O)N1CCc1ccccc1F
InChIInChI=1S/C15H19FN2O2/c1-10(2)14-15(20)17-9-13(19)18(14)8-7-11-5-3-4-6-12(11)16/h3-6,10,14H,7-9H2,1-2H3,(H,17,20)
InChIKeyNQWDNACQDOWZJF-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.35
Rot. Bonds4

About 1-[2-(2-fluorophenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione

1-[2-(2-fluorophenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 64957110) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
PubChem CID64957110
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name1-[2-(2-fluorophenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1C(=O)NCC(=O)N1CCc1ccccc1F
InChIInChI=1S/C15H19FN2O2/c1-10(2)14-15(20)17-9-13(19)18(14)8-7-11-5-3-4-6-12(11)16/h3-6,10,14H,7-9H2,1-2H3,(H,17,20)
InChIKeyNQWDNACQDOWZJF-UHFFFAOYSA-N
XLogP1.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione (CID 64957110) is 1-[2-(2-fluorophenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-[2-(2-fluorophenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-[2-(2-fluorophenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione is CC(C)C1C(=O)NCC(=O)N1CCc1ccccc1F.
What is the InChIKey of 1-[2-(2-fluorophenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is NQWDNACQDOWZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-10(2)14-15(20)17-9-13(19)18(14)8-7-11-5-3-4-6-12(11)16/h3-6,10,14H,7-9H2,1-2H3,(H,17,20).
What are the key properties of 1-[2-(2-fluorophenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione?
1-[2-(2-fluorophenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 278.33 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64957110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).