3-(2-methoxyethyl)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid

C17H20F3NO4 — CID 72865109

IUPAC3-(2-methoxyethyl)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid
SMILESCOCCC1(C(=O)O)CCCN(C(=O)c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C17H20F3NO4/c1-25-10-8-16(15(23)24)7-4-9-21(11-16)14(22)12-5-2-3-6-13(12)17(18,19)20/h2-3,5-6H,4,7-11H2,1H3,(H,23,24)
InChIKeyFXCDYYORUAQMOD-UHFFFAOYSA-N
MW359.34 g/mol
LogP3.05
Rot. Bonds5

About 3-(2-methoxyethyl)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid

3-(2-methoxyethyl)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid (PubChem CID 72865109) has the molecular formula C17H20F3NO4 and a molecular weight of 359.34 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(2-methoxyethyl)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid
PubChem CID72865109
Molecular FormulaC17H20F3NO4
Molecular Weight359.34 g/mol
Exact Mass359.13
IUPAC Name3-(2-methoxyethyl)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid
SMILESCOCCC1(C(=O)O)CCCN(C(=O)c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C17H20F3NO4/c1-25-10-8-16(15(23)24)7-4-9-21(11-16)14(22)12-5-2-3-6-13(12)17(18,19)20/h2-3,5-6H,4,7-11H2,1H3,(H,23,24)
InChIKeyFXCDYYORUAQMOD-UHFFFAOYSA-N
XLogP3.05
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyanobenzoyl)-3-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 72895498
(3R)-1-(1-tert-butylpyrrole-3-carbonyl)-3-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 97137291
(3S)-1-(2-amino-4-methylpyrimidine-5-carbonyl)-3-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 97117341
1-(2-bromobenzoyl)-3-propylpiperidine-3-carboxylic acid
CID 63134142
[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 95043098
(3R)-3-ethyl-1-[2-[2-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxylic acid
CID 97113303
1-(2-methoxybenzoyl)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 56918920
(3S)-1-(2,5-dimethylfuran-3-carbonyl)-3-(3-methoxypropyl)piperidine-3-carboxylic acid
CID 97120972
(4-methyl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 134073617
2-[3-(phenoxymethyl)-1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]-1-piperidin-1-ylethanone
CID 110081457
1-[4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 136549485
1-[2-(3,4-difluorophenyl)acetyl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 72894002

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid?
The IUPAC name of 3-(2-methoxyethyl)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid (CID 72865109) is 3-(2-methoxyethyl)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 3-(2-methoxyethyl)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 3-(2-methoxyethyl)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid is COCCC1(C(=O)O)CCCN(C(=O)c2ccccc2C(F)(F)F)C1.
What is the InChIKey of 3-(2-methoxyethyl)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid?
The InChIKey is FXCDYYORUAQMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3NO4/c1-25-10-8-16(15(23)24)7-4-9-21(11-16)14(22)12-5-2-3-6-13(12)17(18,19)20/h2-3,5-6H,4,7-11H2,1H3,(H,23,24).
What are the key properties of 3-(2-methoxyethyl)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid?
3-(2-methoxyethyl)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid has a molecular weight of 359.34 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 72865109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).