N-ethyl-1-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C16H22F3N3O — CID 71988840

IUPACN-ethyl-1-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1CCCN(Cc2ccccn2)C1
InChIInChI=1S/C16H22F3N3O/c1-2-22(12-16(17,18)19)15(23)13-6-5-9-21(10-13)11-14-7-3-4-8-20-14/h3-4,7-8,13H,2,5-6,9-12H2,1H3
InChIKeySQLYOORZGMLKSP-UHFFFAOYSA-N
MW329.37 g/mol
LogP2.70
Rot. Bonds5

About N-ethyl-1-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

N-ethyl-1-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 71988840) has the molecular formula C16H22F3N3O and a molecular weight of 329.37 g/mol. Its IUPAC name is N-ethyl-1-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID71988840
Molecular FormulaC16H22F3N3O
Molecular Weight329.37 g/mol
Exact Mass329.17
IUPAC NameN-ethyl-1-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1CCCN(Cc2ccccn2)C1
InChIInChI=1S/C16H22F3N3O/c1-2-22(12-16(17,18)19)15(23)13-6-5-9-21(10-13)11-14-7-3-4-8-20-14/h3-4,7-8,13H,2,5-6,9-12H2,1H3
InChIKeySQLYOORZGMLKSP-UHFFFAOYSA-N
XLogP2.70
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of N-ethyl-1-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 71988840) is N-ethyl-1-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for N-ethyl-1-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CCN(CC(F)(F)F)C(=O)C1CCCN(Cc2ccccn2)C1.
What is the InChIKey of N-ethyl-1-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is SQLYOORZGMLKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O/c1-2-22(12-16(17,18)19)15(23)13-6-5-9-21(10-13)11-14-7-3-4-8-20-14/h3-4,7-8,13H,2,5-6,9-12H2,1H3.
What are the key properties of N-ethyl-1-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
N-ethyl-1-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 329.37 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 71988840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).