1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxylic acid

C14H15F3N2O4 — CID 167827145

IUPAC1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)Cn2cccc(C(F)(F)F)c2=O)C1
InChIInChI=1S/C14H15F3N2O4/c15-14(16,17)10-4-2-6-19(12(10)21)8-11(20)18-5-1-3-9(7-18)13(22)23/h2,4,6,9H,1,3,5,7-8H2,(H,22,23)
InChIKeyMOHCGDHABASIGW-UHFFFAOYSA-N
MW332.28 g/mol
LogP1.19
Rot. Bonds3

About 1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxylic acid

1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxylic acid (PubChem CID 167827145) has the molecular formula C14H15F3N2O4 and a molecular weight of 332.28 g/mol. Its IUPAC name is 1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxylic acid
PubChem CID167827145
Molecular FormulaC14H15F3N2O4
Molecular Weight332.28 g/mol
Exact Mass332.10
IUPAC Name1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)Cn2cccc(C(F)(F)F)c2=O)C1
InChIInChI=1S/C14H15F3N2O4/c15-14(16,17)10-4-2-6-19(12(10)21)8-11(20)18-5-1-3-9(7-18)13(22)23/h2,4,6,9H,1,3,5,7-8H2,(H,22,23)
InChIKeyMOHCGDHABASIGW-UHFFFAOYSA-N
XLogP1.19
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[2-Oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-4-carboxylic acid
CID 39041785
Ethyl 1-[2-[methyl-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]acetyl]piperidine-3-carboxylate
CID 56375976
1-[2-[3-(Hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
CID 110886766
3-[1-[2-[2-Oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidin-3-yl]propanoic acid
CID 120247455
3-[(3S)-1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidin-3-yl]propanoic acid
CID 124700194
3-[(3R)-1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidin-3-yl]propanoic acid
CID 124701589
(3S)-1-[[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]carbamoyl]piperidine-3-carboxylic acid
CID 139021469
1-[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]piperidine-3-carboxylic acid
CID 43245239
1-(1-Methyl-2-oxo-1,2-dihydropyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 43355886
1-[3-(2-Oxopyridin-1-yl)propanoyl]piperidine-3-carboxylic acid
CID 43355898
(3S)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 51888683
(3R)-1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 51888685

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxylic acid (CID 167827145) is 1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)Cn2cccc(C(F)(F)F)c2=O)C1.
What is the InChIKey of 1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxylic acid?
The InChIKey is MOHCGDHABASIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O4/c15-14(16,17)10-4-2-6-19(12(10)21)8-11(20)18-5-1-3-9(7-18)13(22)23/h2,4,6,9H,1,3,5,7-8H2,(H,22,23).
What are the key properties of 1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxylic acid?
1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxylic acid has a molecular weight of 332.28 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 167827145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).