1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide

C12H14F3N3O — CID 47174336

IUPAC1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ncccc2C(F)(F)F)C1
InChIInChI=1S/C12H14F3N3O/c13-12(14,15)9-4-1-5-17-11(9)18-6-2-3-8(7-18)10(16)19/h1,4-5,8H,2-3,6-7H2,(H2,16,19)
InChIKeySTIAOKJUHGMVGD-UHFFFAOYSA-N
MW273.26 g/mol
LogP1.80
Rot. Bonds2

About 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide

1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 47174336) has the molecular formula C12H14F3N3O and a molecular weight of 273.26 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
PubChem CID47174336
Molecular FormulaC12H14F3N3O
Molecular Weight273.26 g/mol
Exact Mass273.11
IUPAC Name1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ncccc2C(F)(F)F)C1
InChIInChI=1S/C12H14F3N3O/c13-12(14,15)9-4-1-5-17-11(9)18-6-2-3-8(7-18)10(16)19/h1,4-5,8H,2-3,6-7H2,(H2,16,19)
InChIKeySTIAOKJUHGMVGD-UHFFFAOYSA-N
XLogP1.80
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 94918055
N'-[2-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbohydrazide
CID 55718313
(3R)-N-(4-aminocyclohexyl)-N-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 124686664
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone;hydrochloride
CID 120820185
(3S)-1-[3-(trifluoromethyl)-2-pyridinyl]-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
CID 51955026
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone
CID 46472494
N-[4-(sulfamoylmethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 55910572
(3S)-N-[(1R,2R)-2-methoxycyclohexyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 100700324
N-[(1R,2R)-2-methoxycyclohexyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 119036191
methyl 2-[[(3R)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate
CID 51955858
N-phenyl-1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbonyl]piperidine-3-carboxamide
CID 55719268
2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine
CID 63388486

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide (CID 47174336) is 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide is NC(=O)C1CCCN(c2ncccc2C(F)(F)F)C1.
What is the InChIKey of 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is STIAOKJUHGMVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O/c13-12(14,15)9-4-1-5-17-11(9)18-6-2-3-8(7-18)10(16)19/h1,4-5,8H,2-3,6-7H2,(H2,16,19).
What are the key properties of 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 273.26 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 47174336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).