N-[3-[2-(4-fluorophenyl)ethoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide

C25H26FN3O2 — CID 72712252

IUPACN-[3-[2-(4-fluorophenyl)ethoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide
SMILESO=C(Nc1cccc(OCCc2ccc(F)cc2)c1)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C25H26FN3O2/c26-21-6-4-19(5-7-21)12-17-31-24-3-1-2-22(18-24)28-25(30)20-10-15-29(16-11-20)23-8-13-27-14-9-23/h1-9,13-14,18,20H,10-12,15-17H2,(H,28,30)
InChIKeyLLSMCIOXFIWMPV-UHFFFAOYSA-N
MW419.50 g/mol
LogP4.70
Rot. Bonds7

About N-[3-[2-(4-fluorophenyl)ethoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide

N-[3-[2-(4-fluorophenyl)ethoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide (PubChem CID 72712252) has the molecular formula C25H26FN3O2 and a molecular weight of 419.50 g/mol. Its IUPAC name is N-[3-[2-(4-fluorophenyl)ethoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(4-fluorophenyl)ethoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide
PubChem CID72712252
Molecular FormulaC25H26FN3O2
Molecular Weight419.50 g/mol
Exact Mass419.20
IUPAC NameN-[3-[2-(4-fluorophenyl)ethoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide
SMILESO=C(Nc1cccc(OCCc2ccc(F)cc2)c1)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C25H26FN3O2/c26-21-6-4-19(5-7-21)12-17-31-24-3-1-2-22(18-24)28-25(30)20-10-15-29(16-11-20)23-8-13-27-14-9-23/h1-9,13-14,18,20H,10-12,15-17H2,(H,28,30)
InChIKeyLLSMCIOXFIWMPV-UHFFFAOYSA-N
XLogP4.70
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-fluorophenyl)ethoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
The IUPAC name of N-[3-[2-(4-fluorophenyl)ethoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide (CID 72712252) is N-[3-[2-(4-fluorophenyl)ethoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-[2-(4-fluorophenyl)ethoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-[2-(4-fluorophenyl)ethoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide is O=C(Nc1cccc(OCCc2ccc(F)cc2)c1)C1CCN(c2ccncc2)CC1.
What is the InChIKey of N-[3-[2-(4-fluorophenyl)ethoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
The InChIKey is LLSMCIOXFIWMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O2/c26-21-6-4-19(5-7-21)12-17-31-24-3-1-2-22(18-24)28-25(30)20-10-15-29(16-11-20)23-8-13-27-14-9-23/h1-9,13-14,18,20H,10-12,15-17H2,(H,28,30).
What are the key properties of N-[3-[2-(4-fluorophenyl)ethoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
N-[3-[2-(4-fluorophenyl)ethoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide has a molecular weight of 419.50 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-fluorophenyl)ethoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide is sourced from PubChem (CID 72712252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).