3-[4-(trifluoromethyl)anilino]piperidin-2-one

C12H13F3N2O — CID 62648784

IUPAC3-[4-(trifluoromethyl)anilino]piperidin-2-one
SMILESO=C1NCCCC1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H13F3N2O/c13-12(14,15)8-3-5-9(6-4-8)17-10-2-1-7-16-11(10)18/h3-6,10,17H,1-2,7H2,(H,16,18)
InChIKeyPEVKQJYNBCFNST-UHFFFAOYSA-N
MW258.24 g/mol
LogP2.40
Rot. Bonds2

About 3-[4-(trifluoromethyl)anilino]piperidin-2-one

3-[4-(trifluoromethyl)anilino]piperidin-2-one (PubChem CID 62648784) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)anilino]piperidin-2-one.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)anilino]piperidin-2-one
PubChem CID62648784
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name3-[4-(trifluoromethyl)anilino]piperidin-2-one
SMILESO=C1NCCCC1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H13F3N2O/c13-12(14,15)8-3-5-9(6-4-8)17-10-2-1-7-16-11(10)18/h3-6,10,17H,1-2,7H2,(H,16,18)
InChIKeyPEVKQJYNBCFNST-UHFFFAOYSA-N
XLogP2.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluoroanilino)azepan-2-one
CID 42940986
N-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 54761931
(3R)-3-[4-(2,2,2-trifluoroethoxy)anilino]azepan-2-one
CID 51982995
4-[(2-oxopiperidin-3-yl)amino]-2-(trifluoromethyl)benzenecarbothioamide
CID 62093476
2-[(2-oxopiperidin-3-yl)amino]-5-(trifluoromethyl)benzenecarbothioamide
CID 62093477
N-[4-(trifluoromethyl)phenyl]pyrrolidin-2-amine
CID 105487646
3-[5-bromo-2-(trifluoromethyl)anilino]piperidin-2-one
CID 107286185
N-ethyl-4-[(2-oxopiperidin-3-yl)amino]benzenesulfonamide
CID 62092881
1-[(3R)-2-oxopiperidin-3-yl]-3-[2-[4-(trifluoromethyl)phenoxy]ethyl]urea
CID 95299326
3-[4-(4-bromophenoxy)anilino]azepan-2-one
CID 42891571
(3S)-3-[2,6-dinitro-4-(trifluoromethyl)anilino]azepan-2-one
CID 7179904
3-(2,6-dichloroanilino)azepan-2-one
CID 65469586

Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)anilino]piperidin-2-one?
The IUPAC name of 3-[4-(trifluoromethyl)anilino]piperidin-2-one (CID 62648784) is 3-[4-(trifluoromethyl)anilino]piperidin-2-one.
What is the SMILES notation for 3-[4-(trifluoromethyl)anilino]piperidin-2-one?
The canonical SMILES for 3-[4-(trifluoromethyl)anilino]piperidin-2-one is O=C1NCCCC1Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-[4-(trifluoromethyl)anilino]piperidin-2-one?
The InChIKey is PEVKQJYNBCFNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c13-12(14,15)8-3-5-9(6-4-8)17-10-2-1-7-16-11(10)18/h3-6,10,17H,1-2,7H2,(H,16,18).
What are the key properties of 3-[4-(trifluoromethyl)anilino]piperidin-2-one?
3-[4-(trifluoromethyl)anilino]piperidin-2-one has a molecular weight of 258.24 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)anilino]piperidin-2-one is sourced from PubChem (CID 62648784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).