1-[3-(trifluoromethyl)anilino]piperidin-2-one

C12H13F3N2O — CID 10729883

IUPAC1-[3-(trifluoromethyl)anilino]piperidin-2-one
SMILESO=C1CCCCN1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H13F3N2O/c13-12(14,15)9-4-3-5-10(8-9)16-17-7-2-1-6-11(17)18/h3-5,8,16H,1-2,6-7H2
InChIKeyFTQNXGPGAOXDRA-UHFFFAOYSA-N
MW258.24 g/mol
LogP3.04
Rot. Bonds2

About 1-[3-(trifluoromethyl)anilino]piperidin-2-one

1-[3-(trifluoromethyl)anilino]piperidin-2-one (PubChem CID 10729883) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)anilino]piperidin-2-one.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)anilino]piperidin-2-one
PubChem CID10729883
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name1-[3-(trifluoromethyl)anilino]piperidin-2-one
SMILESO=C1CCCCN1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H13F3N2O/c13-12(14,15)9-4-3-5-10(8-9)16-17-7-2-1-6-11(17)18/h3-5,8,16H,1-2,6-7H2
InChIKeyFTQNXGPGAOXDRA-UHFFFAOYSA-N
XLogP3.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)anilino]piperidin-2-one?
The IUPAC name of 1-[3-(trifluoromethyl)anilino]piperidin-2-one (CID 10729883) is 1-[3-(trifluoromethyl)anilino]piperidin-2-one.
What is the SMILES notation for 1-[3-(trifluoromethyl)anilino]piperidin-2-one?
The canonical SMILES for 1-[3-(trifluoromethyl)anilino]piperidin-2-one is O=C1CCCCN1Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-(trifluoromethyl)anilino]piperidin-2-one?
The InChIKey is FTQNXGPGAOXDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c13-12(14,15)9-4-3-5-10(8-9)16-17-7-2-1-6-11(17)18/h3-5,8,16H,1-2,6-7H2.
What are the key properties of 1-[3-(trifluoromethyl)anilino]piperidin-2-one?
1-[3-(trifluoromethyl)anilino]piperidin-2-one has a molecular weight of 258.24 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)anilino]piperidin-2-one is sourced from PubChem (CID 10729883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).