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

C16H19FN2O2 — CID 64966030

IUPAC3-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-6-methylpiperazine-2,5-dione
SMILESCC1C(=O)NC(C2CC2)C(=O)N1C(C)c1ccccc1F
InChIInChI=1S/C16H19FN2O2/c1-9(12-5-3-4-6-13(12)17)19-10(2)15(20)18-14(16(19)21)11-7-8-11/h3-6,9-11,14H,7-8H2,1-2H3,(H,18,20)
InChIKeyPADOJRBJDGRBPS-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.01
Rot. Bonds3

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

3-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-6-methylpiperazine-2,5-dione (PubChem CID 64966030) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 3-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-6-methylpiperazine-2,5-dione
PubChem CID64966030
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name3-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-6-methylpiperazine-2,5-dione
SMILESCC1C(=O)NC(C2CC2)C(=O)N1C(C)c1ccccc1F
InChIInChI=1S/C16H19FN2O2/c1-9(12-5-3-4-6-13(12)17)19-10(2)15(20)18-14(16(19)21)11-7-8-11/h3-6,9-11,14H,7-8H2,1-2H3,(H,18,20)
InChIKeyPADOJRBJDGRBPS-UHFFFAOYSA-N
XLogP2.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-6-methylpiperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-6-methylpiperazine-2,5-dione (CID 64966030) is 3-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-6-methylpiperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-6-methylpiperazine-2,5-dione is CC1C(=O)NC(C2CC2)C(=O)N1C(C)c1ccccc1F.
What is the InChIKey of 3-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-6-methylpiperazine-2,5-dione?
The InChIKey is PADOJRBJDGRBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-9(12-5-3-4-6-13(12)17)19-10(2)15(20)18-14(16(19)21)11-7-8-11/h3-6,9-11,14H,7-8H2,1-2H3,(H,18,20).
What are the key properties of 3-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-6-methylpiperazine-2,5-dione?
3-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-6-methylpiperazine-2,5-dione has a molecular weight of 290.34 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 64966030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).