3-[[3-(4-fluorophenoxy)phenyl]methyl]-N-pyridin-3-ylpiperidine-1-carboxamide

C24H24FN3O2 — CID 46213905

IUPAC3-[[3-(4-fluorophenoxy)phenyl]methyl]-N-pyridin-3-ylpiperidine-1-carboxamide
SMILESO=C(Nc1cccnc1)N1CCCC(Cc2cccc(Oc3ccc(F)cc3)c2)C1
InChIInChI=1S/C24H24FN3O2/c25-20-8-10-22(11-9-20)30-23-7-1-4-18(15-23)14-19-5-3-13-28(17-19)24(29)27-21-6-2-12-26-16-21/h1-2,4,6-12,15-16,19H,3,5,13-14,17H2,(H,27,29)
InChIKeyABYPVBAACIVXPR-UHFFFAOYSA-N
MW405.47 g/mol
LogP5.50
Rot. Bonds5

About 3-[[3-(4-fluorophenoxy)phenyl]methyl]-N-pyridin-3-ylpiperidine-1-carboxamide

3-[[3-(4-fluorophenoxy)phenyl]methyl]-N-pyridin-3-ylpiperidine-1-carboxamide (PubChem CID 46213905) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is 3-[[3-(4-fluorophenoxy)phenyl]methyl]-N-pyridin-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-[[3-(4-fluorophenoxy)phenyl]methyl]-N-pyridin-3-ylpiperidine-1-carboxamide
PubChem CID46213905
Molecular FormulaC24H24FN3O2
Molecular Weight405.47 g/mol
Exact Mass405.19
IUPAC Name3-[[3-(4-fluorophenoxy)phenyl]methyl]-N-pyridin-3-ylpiperidine-1-carboxamide
SMILESO=C(Nc1cccnc1)N1CCCC(Cc2cccc(Oc3ccc(F)cc3)c2)C1
InChIInChI=1S/C24H24FN3O2/c25-20-8-10-22(11-9-20)30-23-7-1-4-18(15-23)14-19-5-3-13-28(17-19)24(29)27-21-6-2-12-26-16-21/h1-2,4,6-12,15-16,19H,3,5,13-14,17H2,(H,27,29)
InChIKeyABYPVBAACIVXPR-UHFFFAOYSA-N
XLogP5.50
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.47
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-fluorophenoxy)phenyl]methyl]-N-pyridin-3-ylpiperidine-1-carboxamide?
The IUPAC name of 3-[[3-(4-fluorophenoxy)phenyl]methyl]-N-pyridin-3-ylpiperidine-1-carboxamide (CID 46213905) is 3-[[3-(4-fluorophenoxy)phenyl]methyl]-N-pyridin-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for 3-[[3-(4-fluorophenoxy)phenyl]methyl]-N-pyridin-3-ylpiperidine-1-carboxamide?
The canonical SMILES for 3-[[3-(4-fluorophenoxy)phenyl]methyl]-N-pyridin-3-ylpiperidine-1-carboxamide is O=C(Nc1cccnc1)N1CCCC(Cc2cccc(Oc3ccc(F)cc3)c2)C1.
What is the InChIKey of 3-[[3-(4-fluorophenoxy)phenyl]methyl]-N-pyridin-3-ylpiperidine-1-carboxamide?
The InChIKey is ABYPVBAACIVXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2/c25-20-8-10-22(11-9-20)30-23-7-1-4-18(15-23)14-19-5-3-13-28(17-19)24(29)27-21-6-2-12-26-16-21/h1-2,4,6-12,15-16,19H,3,5,13-14,17H2,(H,27,29).
What are the key properties of 3-[[3-(4-fluorophenoxy)phenyl]methyl]-N-pyridin-3-ylpiperidine-1-carboxamide?
3-[[3-(4-fluorophenoxy)phenyl]methyl]-N-pyridin-3-ylpiperidine-1-carboxamide has a molecular weight of 405.47 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-fluorophenoxy)phenyl]methyl]-N-pyridin-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 46213905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).