6-methyl-1-[2-[3-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxylic acid

C16H18F3NO3 — CID 122083935

IUPAC6-methyl-1-[2-[3-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1C(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H18F3NO3/c1-10-5-6-12(15(22)23)9-20(10)14(21)8-11-3-2-4-13(7-11)16(17,18)19/h2-4,7,10,12H,5-6,8-9H2,1H3,(H,22,23)
InChIKeyCYILOTHRSDNMCF-UHFFFAOYSA-N
MW329.32 g/mol
LogP2.96
Rot. Bonds3

About 6-methyl-1-[2-[3-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxylic acid

6-methyl-1-[2-[3-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxylic acid (PubChem CID 122083935) has the molecular formula C16H18F3NO3 and a molecular weight of 329.32 g/mol. Its IUPAC name is 6-methyl-1-[2-[3-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1-[2-[3-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxylic acid
PubChem CID122083935
Molecular FormulaC16H18F3NO3
Molecular Weight329.32 g/mol
Exact Mass329.12
IUPAC Name6-methyl-1-[2-[3-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1C(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H18F3NO3/c1-10-5-6-12(15(22)23)9-20(10)14(21)8-11-3-2-4-13(7-11)16(17,18)19/h2-4,7,10,12H,5-6,8-9H2,1H3,(H,22,23)
InChIKeyCYILOTHRSDNMCF-UHFFFAOYSA-N
XLogP2.96
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,6S)-6-methyl-1-(2-phenylacetyl)piperidine-3-carboxylic acid
CID 169210694
1-[2-(3,4-difluorophenyl)acetyl]-6-methylpiperidine-3-carboxylic acid
CID 122083685
6-methyl-1-[2-(3-propoxyphenyl)acetyl]piperidine-3-carboxylic acid
CID 122112816
(3S)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 94373729
1-(4-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 78768057
6-methyl-1-[3-(3-methylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 122083730
(3R,6S)-1-[2-(3-bromophenyl)acetyl]-6-methylpiperidine-3-carboxamide
CID 95313879
6-methyl-1-[1-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidine-3-carboxylic acid
CID 122113523
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 24904811
1-[2-(2-chloro-4-fluorophenyl)acetyl]-6-methylpiperidine-3-carboxylic acid
CID 122113095
1-[(2S,4R)-4-(dimethylamino)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 91773729
1-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 128985487

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[2-[3-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxylic acid?
The IUPAC name of 6-methyl-1-[2-[3-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxylic acid (CID 122083935) is 6-methyl-1-[2-[3-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-1-[2-[3-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for 6-methyl-1-[2-[3-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxylic acid is CC1CCC(C(=O)O)CN1C(=O)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 6-methyl-1-[2-[3-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxylic acid?
The InChIKey is CYILOTHRSDNMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NO3/c1-10-5-6-12(15(22)23)9-20(10)14(21)8-11-3-2-4-13(7-11)16(17,18)19/h2-4,7,10,12H,5-6,8-9H2,1H3,(H,22,23).
What are the key properties of 6-methyl-1-[2-[3-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxylic acid?
6-methyl-1-[2-[3-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxylic acid has a molecular weight of 329.32 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[2-[3-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122083935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).