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

C15H18F3N3O3 — CID 129470071

IUPAC(3S,5S)-5-methyl-1-[[6-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]piperidine-3-carboxylic acid
SMILESC[C@H]1C[C@H](C(=O)O)CN(C(=O)NCc2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C15H18F3N3O3/c1-9-5-10(13(22)23)8-21(7-9)14(24)19-6-11-3-2-4-12(20-11)15(16,17)18/h2-4,9-10H,5-8H2,1H3,(H,19,24)(H,22,23)/t9-,10-/m0/s1
InChIKeyPPLIMBVHELZLCA-UWVGGRQHSA-N
MW345.32 g/mol
LogP2.35
Rot. Bonds3

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

(3S,5S)-5-methyl-1-[[6-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 129470071) has the molecular formula C15H18F3N3O3 and a molecular weight of 345.32 g/mol. Its IUPAC name is (3S,5S)-5-methyl-1-[[6-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,5S)-5-methyl-1-[[6-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID129470071
Molecular FormulaC15H18F3N3O3
Molecular Weight345.32 g/mol
Exact Mass345.13
IUPAC Name(3S,5S)-5-methyl-1-[[6-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]piperidine-3-carboxylic acid
SMILESC[C@H]1C[C@H](C(=O)O)CN(C(=O)NCc2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C15H18F3N3O3/c1-9-5-10(13(22)23)8-21(7-9)14(24)19-6-11-3-2-4-12(20-11)15(16,17)18/h2-4,9-10H,5-8H2,1H3,(H,19,24)(H,22,23)/t9-,10-/m0/s1
InChIKeyPPLIMBVHELZLCA-UWVGGRQHSA-N
XLogP2.35
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S,5S)-5-methyl-1-[[6-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]piperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-1-[2-[6-(trifluoromethyl)-2-pyridinyl]ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122123950
5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid
CID 122121841
1-[(2,6-difluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101826
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
5-methyl-1-[[3-(propan-2-ylsulfamoyl)phenyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122122190
1-[(2-methoxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122121860
1-[(4-cyclopropyl-2-fluorophenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123924
1-[[3-(ethylcarbamoyl)phenyl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122290
1-[[3-(2,2-difluoroethoxy)phenyl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122618
5-methyl-1-(2,2,3,3-tetramethylbutylcarbamoyl)piperidine-3-carboxylic acid
CID 122123942
5-methyl-1-[[4-(methylsulfinylmethyl)phenyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122123831

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-methyl-1-[[6-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S,5S)-5-methyl-1-[[6-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]piperidine-3-carboxylic acid (CID 129470071) is (3S,5S)-5-methyl-1-[[6-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S,5S)-5-methyl-1-[[6-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S,5S)-5-methyl-1-[[6-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]piperidine-3-carboxylic acid is C[C@H]1C[C@H](C(=O)O)CN(C(=O)NCc2cccc(C(F)(F)F)n2)C1.
What is the InChIKey of (3S,5S)-5-methyl-1-[[6-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is PPLIMBVHELZLCA-UWVGGRQHSA-N. The full InChI is InChI=1S/C15H18F3N3O3/c1-9-5-10(13(22)23)8-21(7-9)14(24)19-6-11-3-2-4-12(20-11)15(16,17)18/h2-4,9-10H,5-8H2,1H3,(H,19,24)(H,22,23)/t9-,10-/m0/s1.
What are the key properties of (3S,5S)-5-methyl-1-[[6-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]piperidine-3-carboxylic acid?
(3S,5S)-5-methyl-1-[[6-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 345.32 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-methyl-1-[[6-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 129470071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).