N-ethyl-N-(4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide

C21H24F3N3O2 — CID 90349879

IUPACN-ethyl-N-(4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
SMILESCCN(C(=O)C1CCN(c2ncccc2C(F)(F)F)CC1)c1ccc(OC)cc1
InChIInChI=1S/C21H24F3N3O2/c1-3-27(16-6-8-17(29-2)9-7-16)20(28)15-10-13-26(14-11-15)19-18(21(22,23)24)5-4-12-25-19/h4-9,12,15H,3,10-11,13-14H2,1-2H3
InChIKeyNRDKZKGXPXWUNW-UHFFFAOYSA-N
MW407.44 g/mol
LogP4.38
Rot. Bonds5

About N-ethyl-N-(4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide

N-ethyl-N-(4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 90349879) has the molecular formula C21H24F3N3O2 and a molecular weight of 407.44 g/mol. Its IUPAC name is N-ethyl-N-(4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
PubChem CID90349879
Molecular FormulaC21H24F3N3O2
Molecular Weight407.44 g/mol
Exact Mass407.18
IUPAC NameN-ethyl-N-(4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
SMILESCCN(C(=O)C1CCN(c2ncccc2C(F)(F)F)CC1)c1ccc(OC)cc1
InChIInChI=1S/C21H24F3N3O2/c1-3-27(16-6-8-17(29-2)9-7-16)20(28)15-10-13-26(14-11-15)19-18(21(22,23)24)5-4-12-25-19/h4-9,12,15H,3,10-11,13-14H2,1-2H3
InChIKeyNRDKZKGXPXWUNW-UHFFFAOYSA-N
XLogP4.38
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N-ethyl-N-(4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide (CID 90349879) is N-ethyl-N-(4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-N-(4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N-ethyl-N-(4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide is CCN(C(=O)C1CCN(c2ncccc2C(F)(F)F)CC1)c1ccc(OC)cc1.
What is the InChIKey of N-ethyl-N-(4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is NRDKZKGXPXWUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O2/c1-3-27(16-6-8-17(29-2)9-7-16)20(28)15-10-13-26(14-11-15)19-18(21(22,23)24)5-4-12-25-19/h4-9,12,15H,3,10-11,13-14H2,1-2H3.
What are the key properties of N-ethyl-N-(4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
N-ethyl-N-(4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 407.44 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 90349879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).