1-(3-chlorophenyl)-4-[1-(trifluoromethyl)cyclobutanecarbonyl]piperazin-2-one

C16H16ClF3N2O2 — CID 171676116

IUPAC1-(3-chlorophenyl)-4-[1-(trifluoromethyl)cyclobutanecarbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)C2(C(F)(F)F)CCC2)CCN1c1cccc(Cl)c1
InChIInChI=1S/C16H16ClF3N2O2/c17-11-3-1-4-12(9-11)22-8-7-21(10-13(22)23)14(24)15(5-2-6-15)16(18,19)20/h1,3-4,9H,2,5-8,10H2
InChIKeyFWMXNUJTZPGALC-UHFFFAOYSA-N
MW360.76 g/mol
LogP3.25
Rot. Bonds2

About 1-(3-chlorophenyl)-4-[1-(trifluoromethyl)cyclobutanecarbonyl]piperazin-2-one

1-(3-chlorophenyl)-4-[1-(trifluoromethyl)cyclobutanecarbonyl]piperazin-2-one (PubChem CID 171676116) has the molecular formula C16H16ClF3N2O2 and a molecular weight of 360.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-[1-(trifluoromethyl)cyclobutanecarbonyl]piperazin-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-[1-(trifluoromethyl)cyclobutanecarbonyl]piperazin-2-one
PubChem CID171676116
Molecular FormulaC16H16ClF3N2O2
Molecular Weight360.76 g/mol
Exact Mass360.09
IUPAC Name1-(3-chlorophenyl)-4-[1-(trifluoromethyl)cyclobutanecarbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)C2(C(F)(F)F)CCC2)CCN1c1cccc(Cl)c1
InChIInChI=1S/C16H16ClF3N2O2/c17-11-3-1-4-12(9-11)22-8-7-21(10-13(22)23)14(24)15(5-2-6-15)16(18,19)20/h1,3-4,9H,2,5-8,10H2
InChIKeyFWMXNUJTZPGALC-UHFFFAOYSA-N
XLogP3.25
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.76
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 96582404
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4-[2-(benzimidazol-1-yl)acetyl]-1-(3-chlorophenyl)piperazin-2-one
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4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]-1-(3-methoxyphenyl)piperazin-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-[1-(trifluoromethyl)cyclobutanecarbonyl]piperazin-2-one?
The IUPAC name of 1-(3-chlorophenyl)-4-[1-(trifluoromethyl)cyclobutanecarbonyl]piperazin-2-one (CID 171676116) is 1-(3-chlorophenyl)-4-[1-(trifluoromethyl)cyclobutanecarbonyl]piperazin-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-4-[1-(trifluoromethyl)cyclobutanecarbonyl]piperazin-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-4-[1-(trifluoromethyl)cyclobutanecarbonyl]piperazin-2-one is O=C1CN(C(=O)C2(C(F)(F)F)CCC2)CCN1c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-4-[1-(trifluoromethyl)cyclobutanecarbonyl]piperazin-2-one?
The InChIKey is FWMXNUJTZPGALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF3N2O2/c17-11-3-1-4-12(9-11)22-8-7-21(10-13(22)23)14(24)15(5-2-6-15)16(18,19)20/h1,3-4,9H,2,5-8,10H2.
What are the key properties of 1-(3-chlorophenyl)-4-[1-(trifluoromethyl)cyclobutanecarbonyl]piperazin-2-one?
1-(3-chlorophenyl)-4-[1-(trifluoromethyl)cyclobutanecarbonyl]piperazin-2-one has a molecular weight of 360.76 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-[1-(trifluoromethyl)cyclobutanecarbonyl]piperazin-2-one is sourced from PubChem (CID 171676116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).