N-ethyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide

C14H18F3N3O — CID 51102591

IUPACN-ethyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
SMILESCCNC(=O)C1CCCN(c2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C14H18F3N3O/c1-2-18-13(21)10-5-4-8-20(9-10)12-7-3-6-11(19-12)14(15,16)17/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,18,21)
InChIKeyHEQAQPHVPMMZMO-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.45
Rot. Bonds3

About N-ethyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide

N-ethyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 51102591) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is N-ethyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
PubChem CID51102591
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC NameN-ethyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
SMILESCCNC(=O)C1CCCN(c2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C14H18F3N3O/c1-2-18-13(21)10-5-4-8-20(9-10)12-7-3-6-11(19-12)14(15,16)17/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,18,21)
InChIKeyHEQAQPHVPMMZMO-UHFFFAOYSA-N
XLogP2.45
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of N-ethyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide (CID 51102591) is N-ethyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for N-ethyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide is CCNC(=O)C1CCCN(c2cccc(C(F)(F)F)n2)C1.
What is the InChIKey of N-ethyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is HEQAQPHVPMMZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O/c1-2-18-13(21)10-5-4-8-20(9-10)12-7-3-6-11(19-12)14(15,16)17/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,18,21).
What are the key properties of N-ethyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
N-ethyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 301.31 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 51102591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).