1-[4-[2-(dimethylamino)-5-(trifluoromethyl)anilino]piperidin-1-yl]ethanone

C16H22F3N3O — CID 75471105

IUPAC1-[4-[2-(dimethylamino)-5-(trifluoromethyl)anilino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2cc(C(F)(F)F)ccc2N(C)C)CC1
InChIInChI=1S/C16H22F3N3O/c1-11(23)22-8-6-13(7-9-22)20-14-10-12(16(17,18)19)4-5-15(14)21(2)3/h4-5,10,13,20H,6-9H2,1-3H3
InChIKeyLXMWENIXESLLCS-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.19
Rot. Bonds3

About 1-[4-[2-(dimethylamino)-5-(trifluoromethyl)anilino]piperidin-1-yl]ethanone

1-[4-[2-(dimethylamino)-5-(trifluoromethyl)anilino]piperidin-1-yl]ethanone (PubChem CID 75471105) has the molecular formula C16H22F3N3O and a molecular weight of 329.37 g/mol. Its IUPAC name is 1-[4-[2-(dimethylamino)-5-(trifluoromethyl)anilino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(dimethylamino)-5-(trifluoromethyl)anilino]piperidin-1-yl]ethanone
PubChem CID75471105
Molecular FormulaC16H22F3N3O
Molecular Weight329.37 g/mol
Exact Mass329.17
IUPAC Name1-[4-[2-(dimethylamino)-5-(trifluoromethyl)anilino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2cc(C(F)(F)F)ccc2N(C)C)CC1
InChIInChI=1S/C16H22F3N3O/c1-11(23)22-8-6-13(7-9-22)20-14-10-12(16(17,18)19)4-5-15(14)21(2)3/h4-5,10,13,20H,6-9H2,1-3H3
InChIKeyLXMWENIXESLLCS-UHFFFAOYSA-N
XLogP3.19
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(dimethylamino)-5-(trifluoromethyl)anilino]cyclohexane-1-carboxylic acid
CID 122029595
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 55522102
4-[2-fluoro-5-(trifluoromethyl)anilino]piperidine-1-carboxamide
CID 63037864
tert-butyl 4-[2-bromo-5-(trifluoromethyl)anilino]piperidine-1-carboxylate
CID 114042668
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015166
1-tert-butyl-3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]urea
CID 78786564
N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine
CID 55144195
1-cyclopropyl-3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-(2-hydroxyethyl)urea
CID 110890918
N-(1-acetylpiperidin-4-yl)-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]acetamide
CID 78821218
N-[(3S)-1-acetylpyrrolidin-3-yl]-4-(trifluoromethyl)benzamide
CID 124508544
2-[(4-methylcyclohexyl)amino]-5-(trifluoromethyl)benzoic acid
CID 63510359
1-acetyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 108804445

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(dimethylamino)-5-(trifluoromethyl)anilino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(dimethylamino)-5-(trifluoromethyl)anilino]piperidin-1-yl]ethanone (CID 75471105) is 1-[4-[2-(dimethylamino)-5-(trifluoromethyl)anilino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(dimethylamino)-5-(trifluoromethyl)anilino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(dimethylamino)-5-(trifluoromethyl)anilino]piperidin-1-yl]ethanone is CC(=O)N1CCC(Nc2cc(C(F)(F)F)ccc2N(C)C)CC1.
What is the InChIKey of 1-[4-[2-(dimethylamino)-5-(trifluoromethyl)anilino]piperidin-1-yl]ethanone?
The InChIKey is LXMWENIXESLLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O/c1-11(23)22-8-6-13(7-9-22)20-14-10-12(16(17,18)19)4-5-15(14)21(2)3/h4-5,10,13,20H,6-9H2,1-3H3.
What are the key properties of 1-[4-[2-(dimethylamino)-5-(trifluoromethyl)anilino]piperidin-1-yl]ethanone?
1-[4-[2-(dimethylamino)-5-(trifluoromethyl)anilino]piperidin-1-yl]ethanone has a molecular weight of 329.37 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(dimethylamino)-5-(trifluoromethyl)anilino]piperidin-1-yl]ethanone is sourced from PubChem (CID 75471105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).