1-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-3-pyridinyl]piperidine-4-carboxylic acid

C20H20F3N3O4 — CID 118212046

IUPAC1-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-3-pyridinyl]piperidine-4-carboxylic acid
SMILESO=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(N2CCC(C(=O)O)CC2)cn1
InChIInChI=1S/C20H20F3N3O4/c21-20(22,23)30-16-3-1-2-13(10-16)11-18(27)25-17-5-4-15(12-24-17)26-8-6-14(7-9-26)19(28)29/h1-5,10,12,14H,6-9,11H2,(H,28,29)(H,24,25,27)
InChIKeyWBCJMZKUHQNYIW-UHFFFAOYSA-N
MW423.39 g/mol
LogP3.46
Rot. Bonds6

About 1-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-3-pyridinyl]piperidine-4-carboxylic acid

1-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-3-pyridinyl]piperidine-4-carboxylic acid (PubChem CID 118212046) has the molecular formula C20H20F3N3O4 and a molecular weight of 423.39 g/mol. Its IUPAC name is 1-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-3-pyridinyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-3-pyridinyl]piperidine-4-carboxylic acid
PubChem CID118212046
Molecular FormulaC20H20F3N3O4
Molecular Weight423.39 g/mol
Exact Mass423.14
IUPAC Name1-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-3-pyridinyl]piperidine-4-carboxylic acid
SMILESO=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(N2CCC(C(=O)O)CC2)cn1
InChIInChI=1S/C20H20F3N3O4/c21-20(22,23)30-16-3-1-2-13(10-16)11-18(27)25-17-5-4-15(12-24-17)26-8-6-14(7-9-26)19(28)29/h1-5,10,12,14H,6-9,11H2,(H,28,29)(H,24,25,27)
InChIKeyWBCJMZKUHQNYIW-UHFFFAOYSA-N
XLogP3.46
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.39
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-3-pyridinyl]ethyl]cyclohexane-1-carboxylic acid
CID 123263927
N-[5-[(3R)-3-[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 118212061
1-[6-(3-aminopropanoylamino)-3-pyridinyl]piperidine-4-carboxylic acid
CID 39187771
N-[5-[(3-cyanocyclobutyl)methyl]-2-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 118211050
2-[3-(trifluoromethoxy)phenyl]-N-[6-[3-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide
CID 123193328
methylaminomethyl (3Z)-N-(methylideneamino)-1-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-3-pyridinyl]piperidine-3-carboximidothioate;2-pyridin-2-ylacetaldehyde
CID 144878431
N-[6-[1-[5-(2-amino-2-oxoethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 154506459
2-(3,4-dimethoxyphenyl)-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]acetamide
CID 113024851
2-phenyl-N-[6-[1-[6-[(2-phenylacetyl)amino]-3-pyridinyl]piperidin-4-yl]oxy-3-pyridinyl]acetamide
CID 121256369
N-[5-(4-benzylpiperidin-1-yl)-2-pyridinyl]-3-methylbutanamide
CID 113030634
2-[3-(trifluoromethoxy)phenyl]acetohydrazide
CID 142471729
N-(5-methyl-2-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 32697328

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-3-pyridinyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-3-pyridinyl]piperidine-4-carboxylic acid (CID 118212046) is 1-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-3-pyridinyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-3-pyridinyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-3-pyridinyl]piperidine-4-carboxylic acid is O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(N2CCC(C(=O)O)CC2)cn1.
What is the InChIKey of 1-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-3-pyridinyl]piperidine-4-carboxylic acid?
The InChIKey is WBCJMZKUHQNYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O4/c21-20(22,23)30-16-3-1-2-13(10-16)11-18(27)25-17-5-4-15(12-24-17)26-8-6-14(7-9-26)19(28)29/h1-5,10,12,14H,6-9,11H2,(H,28,29)(H,24,25,27).
What are the key properties of 1-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-3-pyridinyl]piperidine-4-carboxylic acid?
1-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-3-pyridinyl]piperidine-4-carboxylic acid has a molecular weight of 423.39 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-3-pyridinyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 118212046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).