1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide

C12H14F3N3O — CID 608445

IUPAC1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2cccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H14F3N3O/c13-12(14,15)9-2-1-3-10(17-9)18-6-4-8(5-7-18)11(16)19/h1-3,8H,4-7H2,(H2,16,19)
InChIKeyGMADNJSIYCQMMN-UHFFFAOYSA-N
MW273.26 g/mol
LogP1.80
Rot. Bonds2

About 1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide

1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 608445) has the molecular formula C12H14F3N3O and a molecular weight of 273.26 g/mol. Its IUPAC name is 1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
PubChem CID608445
Molecular FormulaC12H14F3N3O
Molecular Weight273.26 g/mol
Exact Mass273.11
IUPAC Name1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2cccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H14F3N3O/c13-12(14,15)9-2-1-3-10(17-9)18-6-4-8(5-7-18)11(16)19/h1-3,8H,4-7H2,(H2,16,19)
InChIKeyGMADNJSIYCQMMN-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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Frequently Asked Questions

What is the IUPAC name of 1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of 1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide (CID 608445) is 1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide is NC(=O)C1CCN(c2cccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is GMADNJSIYCQMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O/c13-12(14,15)9-2-1-3-10(17-9)18-6-4-8(5-7-18)11(16)19/h1-3,8H,4-7H2,(H2,16,19).
What are the key properties of 1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-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-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 608445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).