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

C14H15F3N2O4 — CID 126781467

IUPAC1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C14H15F3N2O4/c15-14(16,17)9-4-3-6-18(12(9)21)8-11(20)19-7-2-1-5-10(19)13(22)23/h3-4,6,10H,1-2,5,7-8H2,(H,22,23)
InChIKeyNBLRSOIUENNMBF-UHFFFAOYSA-N
MW332.28 g/mol
LogP1.33
Rot. Bonds3

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

1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-2-carboxylic acid (PubChem CID 126781467) 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-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-2-carboxylic acid
PubChem CID126781467
Molecular FormulaC14H15F3N2O4
Molecular Weight332.28 g/mol
Exact Mass332.10
IUPAC Name1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C14H15F3N2O4/c15-14(16,17)9-4-3-6-18(12(9)21)8-11(20)19-7-2-1-5-10(19)13(22)23/h3-4,6,10H,1-2,5,7-8H2,(H,22,23)
InChIKeyNBLRSOIUENNMBF-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-2-carboxylic acid (CID 126781467) is 1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)Cn1cccc(C(F)(F)F)c1=O.
What is the InChIKey of 1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-2-carboxylic acid?
The InChIKey is NBLRSOIUENNMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O4/c15-14(16,17)9-4-3-6-18(12(9)21)8-11(20)19-7-2-1-5-10(19)13(22)23/h3-4,6,10H,1-2,5,7-8H2,(H,22,23).
What are the key properties of 1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-2-carboxylic acid?
1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-2-carboxylic acid has a molecular weight of 332.28 g/mol, XLogP of 1.33, 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-2-carboxylic acid is sourced from PubChem (CID 126781467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).