4-(cyclopropanecarbonyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one

C16H17F3N2O2 — CID 24716335

IUPAC4-(cyclopropanecarbonyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one
SMILESCC1C(=O)N(c2cccc(C(F)(F)F)c2)CCN1C(=O)C1CC1
InChIInChI=1S/C16H17F3N2O2/c1-10-14(22)21(8-7-20(10)15(23)11-5-6-11)13-4-2-3-12(9-13)16(17,18)19/h2-4,9-11H,5-8H2,1H3
InChIKeyABQSVUNBDIFWJI-UHFFFAOYSA-N
MW326.32 g/mol
LogP2.68
Rot. Bonds2

About 4-(cyclopropanecarbonyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one

4-(cyclopropanecarbonyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one (PubChem CID 24716335) has the molecular formula C16H17F3N2O2 and a molecular weight of 326.32 g/mol. Its IUPAC name is 4-(cyclopropanecarbonyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one.

Molecular Properties

Compound Name4-(cyclopropanecarbonyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one
PubChem CID24716335
Molecular FormulaC16H17F3N2O2
Molecular Weight326.32 g/mol
Exact Mass326.12
IUPAC Name4-(cyclopropanecarbonyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one
SMILESCC1C(=O)N(c2cccc(C(F)(F)F)c2)CCN1C(=O)C1CC1
InChIInChI=1S/C16H17F3N2O2/c1-10-14(22)21(8-7-20(10)15(23)11-5-6-11)13-4-2-3-12(9-13)16(17,18)19/h2-4,9-11H,5-8H2,1H3
InChIKeyABQSVUNBDIFWJI-UHFFFAOYSA-N
XLogP2.68
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one?
The IUPAC name of 4-(cyclopropanecarbonyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one (CID 24716335) is 4-(cyclopropanecarbonyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one.
What is the SMILES notation for 4-(cyclopropanecarbonyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one?
The canonical SMILES for 4-(cyclopropanecarbonyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one is CC1C(=O)N(c2cccc(C(F)(F)F)c2)CCN1C(=O)C1CC1.
What is the InChIKey of 4-(cyclopropanecarbonyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one?
The InChIKey is ABQSVUNBDIFWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O2/c1-10-14(22)21(8-7-20(10)15(23)11-5-6-11)13-4-2-3-12(9-13)16(17,18)19/h2-4,9-11H,5-8H2,1H3.
What are the key properties of 4-(cyclopropanecarbonyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one?
4-(cyclopropanecarbonyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one has a molecular weight of 326.32 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one is sourced from PubChem (CID 24716335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).