3-cyclopropyl-1-(4-fluoro-2-methylphenyl)-3,6-dimethylpiperazine-2,5-dione

C16H19FN2O2 — CID 64958019

IUPAC3-cyclopropyl-1-(4-fluoro-2-methylphenyl)-3,6-dimethylpiperazine-2,5-dione
SMILESCc1cc(F)ccc1N1C(=O)C(C)(C2CC2)NC(=O)C1C
InChIInChI=1S/C16H19FN2O2/c1-9-8-12(17)6-7-13(9)19-10(2)14(20)18-16(3,15(19)21)11-4-5-11/h6-8,10-11H,4-5H2,1-3H3,(H,18,20)
InChIKeyQYVPKXZVYZEYRZ-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.15
Rot. Bonds2

About 3-cyclopropyl-1-(4-fluoro-2-methylphenyl)-3,6-dimethylpiperazine-2,5-dione

3-cyclopropyl-1-(4-fluoro-2-methylphenyl)-3,6-dimethylpiperazine-2,5-dione (PubChem CID 64958019) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 3-cyclopropyl-1-(4-fluoro-2-methylphenyl)-3,6-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-(4-fluoro-2-methylphenyl)-3,6-dimethylpiperazine-2,5-dione
PubChem CID64958019
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name3-cyclopropyl-1-(4-fluoro-2-methylphenyl)-3,6-dimethylpiperazine-2,5-dione
SMILESCc1cc(F)ccc1N1C(=O)C(C)(C2CC2)NC(=O)C1C
InChIInChI=1S/C16H19FN2O2/c1-9-8-12(17)6-7-13(9)19-10(2)14(20)18-16(3,15(19)21)11-4-5-11/h6-8,10-11H,4-5H2,1-3H3,(H,18,20)
InChIKeyQYVPKXZVYZEYRZ-UHFFFAOYSA-N
XLogP2.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(4-fluoro-2-methylphenyl)-3,6-dimethylpiperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-(4-fluoro-2-methylphenyl)-3,6-dimethylpiperazine-2,5-dione (CID 64958019) is 3-cyclopropyl-1-(4-fluoro-2-methylphenyl)-3,6-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-(4-fluoro-2-methylphenyl)-3,6-dimethylpiperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-(4-fluoro-2-methylphenyl)-3,6-dimethylpiperazine-2,5-dione is Cc1cc(F)ccc1N1C(=O)C(C)(C2CC2)NC(=O)C1C.
What is the InChIKey of 3-cyclopropyl-1-(4-fluoro-2-methylphenyl)-3,6-dimethylpiperazine-2,5-dione?
The InChIKey is QYVPKXZVYZEYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-9-8-12(17)6-7-13(9)19-10(2)14(20)18-16(3,15(19)21)11-4-5-11/h6-8,10-11H,4-5H2,1-3H3,(H,18,20).
What are the key properties of 3-cyclopropyl-1-(4-fluoro-2-methylphenyl)-3,6-dimethylpiperazine-2,5-dione?
3-cyclopropyl-1-(4-fluoro-2-methylphenyl)-3,6-dimethylpiperazine-2,5-dione has a molecular weight of 290.34 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(4-fluoro-2-methylphenyl)-3,6-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 64958019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).