2-[[6-(trifluoromethoxy)-2-pyridinyl]carbamoyl]piperidine-1-carboxylic acid

C13H14F3N3O4 — CID 175969631

IUPAC2-[[6-(trifluoromethoxy)-2-pyridinyl]carbamoyl]piperidine-1-carboxylic acid
SMILESO=C(Nc1cccc(OC(F)(F)F)n1)C1CCCCN1C(=O)O
InChIInChI=1S/C13H14F3N3O4/c14-13(15,16)23-10-6-3-5-9(17-10)18-11(20)8-4-1-2-7-19(8)12(21)22/h3,5-6,8H,1-2,4,7H2,(H,21,22)(H,17,18,20)
InChIKeyRQXBAFOXEGWOAA-UHFFFAOYSA-N
MW333.27 g/mol
LogP2.45
Rot. Bonds3

About 2-[[6-(trifluoromethoxy)-2-pyridinyl]carbamoyl]piperidine-1-carboxylic acid

2-[[6-(trifluoromethoxy)-2-pyridinyl]carbamoyl]piperidine-1-carboxylic acid (PubChem CID 175969631) has the molecular formula C13H14F3N3O4 and a molecular weight of 333.27 g/mol. Its IUPAC name is 2-[[6-(trifluoromethoxy)-2-pyridinyl]carbamoyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[[6-(trifluoromethoxy)-2-pyridinyl]carbamoyl]piperidine-1-carboxylic acid
PubChem CID175969631
Molecular FormulaC13H14F3N3O4
Molecular Weight333.27 g/mol
Exact Mass333.09
IUPAC Name2-[[6-(trifluoromethoxy)-2-pyridinyl]carbamoyl]piperidine-1-carboxylic acid
SMILESO=C(Nc1cccc(OC(F)(F)F)n1)C1CCCCN1C(=O)O
InChIInChI=1S/C13H14F3N3O4/c14-13(15,16)23-10-6-3-5-9(17-10)18-11(20)8-4-1-2-7-19(8)12(21)22/h3,5-6,8H,1-2,4,7H2,(H,21,22)(H,17,18,20)
InChIKeyRQXBAFOXEGWOAA-UHFFFAOYSA-N
XLogP2.45
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[[6-(trifluoromethyl)-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 70865337
N-(6-ethoxy-2-pyridinyl)-1-methylpiperidine-2-carboxamide
CID 167884113
tert-butyl (2S)-2-[[6-[(2,2,2-trifluoroacetyl)amino]-2-pyridinyl]carbamoyl]pyrrolidine-1-carboxylate
CID 71725570
2-[(3-fluorophenyl)carbamoyl]piperidine-1-carboxylic acid
CID 175733290
(2S,4R)-4-fluoro-N-[6-(trifluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxamide;hydrochloride
CID 126623026
(2S)-2-(phenylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 69195937
N-[6-(cyclohexanecarbonylamino)-2-pyridinyl]cyclohexanecarboxamide
CID 5223932
tert-butyl (2R)-2-(phenylcarbamoyl)piperidine-1-carboxylate
CID 52774591
(2R)-N-(6-ethyl-2-pyridinyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 53488267
2-(hydroxycarbamoyl)piperidine-1-carboxylic acid
CID 54289954
2-[(6-chloro-2-pyridinyl)carbamoyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carboxylic acid
CID 129217054
1-(benzenesulfonyl)-N-(6-methyl-2-pyridinyl)piperidine-2-carboxamide
CID 46651644

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(trifluoromethoxy)-2-pyridinyl]carbamoyl]piperidine-1-carboxylic acid?
The IUPAC name of 2-[[6-(trifluoromethoxy)-2-pyridinyl]carbamoyl]piperidine-1-carboxylic acid (CID 175969631) is 2-[[6-(trifluoromethoxy)-2-pyridinyl]carbamoyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 2-[[6-(trifluoromethoxy)-2-pyridinyl]carbamoyl]piperidine-1-carboxylic acid?
The canonical SMILES for 2-[[6-(trifluoromethoxy)-2-pyridinyl]carbamoyl]piperidine-1-carboxylic acid is O=C(Nc1cccc(OC(F)(F)F)n1)C1CCCCN1C(=O)O.
What is the InChIKey of 2-[[6-(trifluoromethoxy)-2-pyridinyl]carbamoyl]piperidine-1-carboxylic acid?
The InChIKey is RQXBAFOXEGWOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O4/c14-13(15,16)23-10-6-3-5-9(17-10)18-11(20)8-4-1-2-7-19(8)12(21)22/h3,5-6,8H,1-2,4,7H2,(H,21,22)(H,17,18,20).
What are the key properties of 2-[[6-(trifluoromethoxy)-2-pyridinyl]carbamoyl]piperidine-1-carboxylic acid?
2-[[6-(trifluoromethoxy)-2-pyridinyl]carbamoyl]piperidine-1-carboxylic acid has a molecular weight of 333.27 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(trifluoromethoxy)-2-pyridinyl]carbamoyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 175969631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).