6-oxo-1-(pyridin-2-ylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide

C20H20F3N3O3 — CID 24792936

IUPAC6-oxo-1-(pyridin-2-ylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccccc1OC(F)(F)F)C1CCC(=O)N(Cc2ccccn2)C1
InChIInChI=1S/C20H20F3N3O3/c21-20(22,23)29-17-7-2-1-5-14(17)11-25-19(28)15-8-9-18(27)26(12-15)13-16-6-3-4-10-24-16/h1-7,10,15H,8-9,11-13H2,(H,25,28)
InChIKeyPOWNVFSMJTUZHX-UHFFFAOYSA-N
MW407.39 g/mol
LogP3.04
Rot. Bonds6

About 6-oxo-1-(pyridin-2-ylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide

6-oxo-1-(pyridin-2-ylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 24792936) has the molecular formula C20H20F3N3O3 and a molecular weight of 407.39 g/mol. Its IUPAC name is 6-oxo-1-(pyridin-2-ylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-1-(pyridin-2-ylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
PubChem CID24792936
Molecular FormulaC20H20F3N3O3
Molecular Weight407.39 g/mol
Exact Mass407.15
IUPAC Name6-oxo-1-(pyridin-2-ylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccccc1OC(F)(F)F)C1CCC(=O)N(Cc2ccccn2)C1
InChIInChI=1S/C20H20F3N3O3/c21-20(22,23)29-17-7-2-1-5-14(17)11-25-19(28)15-8-9-18(27)26(12-15)13-16-6-3-4-10-24-16/h1-7,10,15H,8-9,11-13H2,(H,25,28)
InChIKeyPOWNVFSMJTUZHX-UHFFFAOYSA-N
XLogP3.04
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-(pyridin-2-ylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 6-oxo-1-(pyridin-2-ylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide (CID 24792936) is 6-oxo-1-(pyridin-2-ylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 6-oxo-1-(pyridin-2-ylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 6-oxo-1-(pyridin-2-ylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide is O=C(NCc1ccccc1OC(F)(F)F)C1CCC(=O)N(Cc2ccccn2)C1.
What is the InChIKey of 6-oxo-1-(pyridin-2-ylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is POWNVFSMJTUZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O3/c21-20(22,23)29-17-7-2-1-5-14(17)11-25-19(28)15-8-9-18(27)26(12-15)13-16-6-3-4-10-24-16/h1-7,10,15H,8-9,11-13H2,(H,25,28).
What are the key properties of 6-oxo-1-(pyridin-2-ylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide?
6-oxo-1-(pyridin-2-ylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 407.39 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-(pyridin-2-ylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 24792936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).