4-[2-fluoro-5-(trifluoromethyl)anilino]piperidine-1-carboxamide

C13H15F4N3O — CID 63037864

IUPAC4-[2-fluoro-5-(trifluoromethyl)anilino]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(Nc2cc(C(F)(F)F)ccc2F)CC1
InChIInChI=1S/C13H15F4N3O/c14-10-2-1-8(13(15,16)17)7-11(10)19-9-3-5-20(6-4-9)12(18)21/h1-2,7,9,19H,3-6H2,(H2,18,21)
InChIKeyWDDPEAJWRBXKKM-UHFFFAOYSA-N
MW305.27 g/mol
LogP2.80
Rot. Bonds2

About 4-[2-fluoro-5-(trifluoromethyl)anilino]piperidine-1-carboxamide

4-[2-fluoro-5-(trifluoromethyl)anilino]piperidine-1-carboxamide (PubChem CID 63037864) has the molecular formula C13H15F4N3O and a molecular weight of 305.27 g/mol. Its IUPAC name is 4-[2-fluoro-5-(trifluoromethyl)anilino]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-fluoro-5-(trifluoromethyl)anilino]piperidine-1-carboxamide
PubChem CID63037864
Molecular FormulaC13H15F4N3O
Molecular Weight305.27 g/mol
Exact Mass305.12
IUPAC Name4-[2-fluoro-5-(trifluoromethyl)anilino]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(Nc2cc(C(F)(F)F)ccc2F)CC1
InChIInChI=1S/C13H15F4N3O/c14-10-2-1-8(13(15,16)17)7-11(10)19-9-3-5-20(6-4-9)12(18)21/h1-2,7,9,19H,3-6H2,(H2,18,21)
InChIKeyWDDPEAJWRBXKKM-UHFFFAOYSA-N
XLogP2.80
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.27
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine
CID 55144195
N-[2-fluoro-5-(trifluoromethyl)phenyl]-1,1-dioxothian-4-amine
CID 63037005
1-[4-[2-(dimethylamino)-5-(trifluoromethyl)anilino]piperidin-1-yl]ethanone
CID 75471105
4-[3,5-bis(trifluoromethyl)phenoxy]piperidine-1-carboxamide
CID 89332293
N-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 79741047
tert-butyl 4-[2-bromo-5-(trifluoromethyl)anilino]piperidine-1-carboxylate
CID 114042668
4-(3,5-difluoroanilino)piperidine-1-carboxamide
CID 43765044
4-(2-methylsulfanylanilino)piperidine-1-carboxamide
CID 43781018
4-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]piperidine-1-carboxamide
CID 75534696
4-(4-fluoro-3-nitroanilino)piperidine-1-carboxamide
CID 43785719
3-[[3-(trifluoromethyl)benzoyl]amino]pyrrolidine-1-carboxamide
CID 136525672
2-amino-1-[4-[2-fluoro-5-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
CID 66591546

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-5-(trifluoromethyl)anilino]piperidine-1-carboxamide?
The IUPAC name of 4-[2-fluoro-5-(trifluoromethyl)anilino]piperidine-1-carboxamide (CID 63037864) is 4-[2-fluoro-5-(trifluoromethyl)anilino]piperidine-1-carboxamide.
What is the SMILES notation for 4-[2-fluoro-5-(trifluoromethyl)anilino]piperidine-1-carboxamide?
The canonical SMILES for 4-[2-fluoro-5-(trifluoromethyl)anilino]piperidine-1-carboxamide is NC(=O)N1CCC(Nc2cc(C(F)(F)F)ccc2F)CC1.
What is the InChIKey of 4-[2-fluoro-5-(trifluoromethyl)anilino]piperidine-1-carboxamide?
The InChIKey is WDDPEAJWRBXKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4N3O/c14-10-2-1-8(13(15,16)17)7-11(10)19-9-3-5-20(6-4-9)12(18)21/h1-2,7,9,19H,3-6H2,(H2,18,21).
What are the key properties of 4-[2-fluoro-5-(trifluoromethyl)anilino]piperidine-1-carboxamide?
4-[2-fluoro-5-(trifluoromethyl)anilino]piperidine-1-carboxamide has a molecular weight of 305.27 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-5-(trifluoromethyl)anilino]piperidine-1-carboxamide is sourced from PubChem (CID 63037864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).