5-methyl-1-[2-[6-(trifluoromethyl)-2-pyridinyl]ethylcarbamoyl]piperidine-3-carboxylic acid

C16H20F3N3O3 — CID 122123950

IUPAC5-methyl-1-[2-[6-(trifluoromethyl)-2-pyridinyl]ethylcarbamoyl]piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)NCCc2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C16H20F3N3O3/c1-10-7-11(14(23)24)9-22(8-10)15(25)20-6-5-12-3-2-4-13(21-12)16(17,18)19/h2-4,10-11H,5-9H2,1H3,(H,20,25)(H,23,24)
InChIKeyONNAMGDSOGQLCF-UHFFFAOYSA-N
MW359.35 g/mol
LogP2.40
Rot. Bonds4

About 5-methyl-1-[2-[6-(trifluoromethyl)-2-pyridinyl]ethylcarbamoyl]piperidine-3-carboxylic acid

5-methyl-1-[2-[6-(trifluoromethyl)-2-pyridinyl]ethylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 122123950) has the molecular formula C16H20F3N3O3 and a molecular weight of 359.35 g/mol. Its IUPAC name is 5-methyl-1-[2-[6-(trifluoromethyl)-2-pyridinyl]ethylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[2-[6-(trifluoromethyl)-2-pyridinyl]ethylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID122123950
Molecular FormulaC16H20F3N3O3
Molecular Weight359.35 g/mol
Exact Mass359.15
IUPAC Name5-methyl-1-[2-[6-(trifluoromethyl)-2-pyridinyl]ethylcarbamoyl]piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)NCCc2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C16H20F3N3O3/c1-10-7-11(14(23)24)9-22(8-10)15(25)20-6-5-12-3-2-4-13(21-12)16(17,18)19/h2-4,10-11H,5-9H2,1H3,(H,20,25)(H,23,24)
InChIKeyONNAMGDSOGQLCF-UHFFFAOYSA-N
XLogP2.40
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,5S)-5-methyl-1-[[6-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 129470071
5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid
CID 122121841
5-methyl-1-[2-[2-(trifluoromethyl)phenoxy]ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122122695
5-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122122309
3,5-dimethyl-N-(2-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 47128142
1-[3-(2-fluorophenyl)propylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123692
1-[2-(3-methoxycarbonylphenyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123341
1-[2-(1-ethylbenzimidazol-2-yl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122873
5-methyl-1-[2-(pyridine-3-carbonylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122122165
5-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122123826
5-methyl-1-(2,2,3,3-tetramethylbutylcarbamoyl)piperidine-3-carboxylic acid
CID 122123942
1-[[2-(1,1-difluoroethyl)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122103223

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[2-[6-(trifluoromethyl)-2-pyridinyl]ethylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-[2-[6-(trifluoromethyl)-2-pyridinyl]ethylcarbamoyl]piperidine-3-carboxylic acid (CID 122123950) is 5-methyl-1-[2-[6-(trifluoromethyl)-2-pyridinyl]ethylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[2-[6-(trifluoromethyl)-2-pyridinyl]ethylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-[2-[6-(trifluoromethyl)-2-pyridinyl]ethylcarbamoyl]piperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)NCCc2cccc(C(F)(F)F)n2)C1.
What is the InChIKey of 5-methyl-1-[2-[6-(trifluoromethyl)-2-pyridinyl]ethylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is ONNAMGDSOGQLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O3/c1-10-7-11(14(23)24)9-22(8-10)15(25)20-6-5-12-3-2-4-13(21-12)16(17,18)19/h2-4,10-11H,5-9H2,1H3,(H,20,25)(H,23,24).
What are the key properties of 5-methyl-1-[2-[6-(trifluoromethyl)-2-pyridinyl]ethylcarbamoyl]piperidine-3-carboxylic acid?
5-methyl-1-[2-[6-(trifluoromethyl)-2-pyridinyl]ethylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 359.35 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[2-[6-(trifluoromethyl)-2-pyridinyl]ethylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122123950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).