1-[2-[4-fluoro-3-(trifluoromethyl)anilino]acetyl]piperidine-3-carboxamide

C15H17F4N3O2 — CID 71858061

IUPAC1-[2-[4-fluoro-3-(trifluoromethyl)anilino]acetyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)CNc2ccc(F)c(C(F)(F)F)c2)C1
InChIInChI=1S/C15H17F4N3O2/c16-12-4-3-10(6-11(12)15(17,18)19)21-7-13(23)22-5-1-2-9(8-22)14(20)24/h3-4,6,9,21H,1-2,5,7-8H2,(H2,20,24)
InChIKeyTYIBHKNXMLATCG-UHFFFAOYSA-N
MW347.31 g/mol
LogP1.98
Rot. Bonds4

About 1-[2-[4-fluoro-3-(trifluoromethyl)anilino]acetyl]piperidine-3-carboxamide

1-[2-[4-fluoro-3-(trifluoromethyl)anilino]acetyl]piperidine-3-carboxamide (PubChem CID 71858061) has the molecular formula C15H17F4N3O2 and a molecular weight of 347.31 g/mol. Its IUPAC name is 1-[2-[4-fluoro-3-(trifluoromethyl)anilino]acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[4-fluoro-3-(trifluoromethyl)anilino]acetyl]piperidine-3-carboxamide
PubChem CID71858061
Molecular FormulaC15H17F4N3O2
Molecular Weight347.31 g/mol
Exact Mass347.13
IUPAC Name1-[2-[4-fluoro-3-(trifluoromethyl)anilino]acetyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)CNc2ccc(F)c(C(F)(F)F)c2)C1
InChIInChI=1S/C15H17F4N3O2/c16-12-4-3-10(6-11(12)15(17,18)19)21-7-13(23)22-5-1-2-9(8-22)14(20)24/h3-4,6,9,21H,1-2,5,7-8H2,(H2,20,24)
InChIKeyTYIBHKNXMLATCG-UHFFFAOYSA-N
XLogP1.98
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.31
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-methyl-3-(trifluoromethyl)anilino]-1-pyrrolidin-1-ylethanone
CID 60703975
2-fluoro-5-[(2-oxo-2-piperidin-1-ylethyl)amino]benzamide
CID 47063963
2-(3-chloro-4-fluoroanilino)-1-piperidin-1-ylethanone
CID 39369835
1-[2-(2,5-dimethylanilino)acetyl]piperidine-3-carboxamide
CID 78821595
N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 47456948
methyl 5-[[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]amino]-2-fluorobenzoate
CID 39998775
2-[4-fluoro-3-(trifluoromethyl)anilino]-N-propan-2-ylacetamide
CID 61229010
1-[2-(2-chloro-4-methylanilino)acetyl]piperidine-3-carboxamide
CID 78821494
1-(3-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone
CID 109006549
(3S)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 7333045
(3S)-1-[3-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]propyl]piperidine-3-carboxamide
CID 95155929
(3S)-1-[2-(2-fluoro-6-pyrazol-1-ylanilino)acetyl]piperidine-3-carboxamide
CID 96536056

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-fluoro-3-(trifluoromethyl)anilino]acetyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-[4-fluoro-3-(trifluoromethyl)anilino]acetyl]piperidine-3-carboxamide (CID 71858061) is 1-[2-[4-fluoro-3-(trifluoromethyl)anilino]acetyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[4-fluoro-3-(trifluoromethyl)anilino]acetyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-[4-fluoro-3-(trifluoromethyl)anilino]acetyl]piperidine-3-carboxamide is NC(=O)C1CCCN(C(=O)CNc2ccc(F)c(C(F)(F)F)c2)C1.
What is the InChIKey of 1-[2-[4-fluoro-3-(trifluoromethyl)anilino]acetyl]piperidine-3-carboxamide?
The InChIKey is TYIBHKNXMLATCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F4N3O2/c16-12-4-3-10(6-11(12)15(17,18)19)21-7-13(23)22-5-1-2-9(8-22)14(20)24/h3-4,6,9,21H,1-2,5,7-8H2,(H2,20,24).
What are the key properties of 1-[2-[4-fluoro-3-(trifluoromethyl)anilino]acetyl]piperidine-3-carboxamide?
1-[2-[4-fluoro-3-(trifluoromethyl)anilino]acetyl]piperidine-3-carboxamide has a molecular weight of 347.31 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-fluoro-3-(trifluoromethyl)anilino]acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 71858061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).