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

C25H26FN3O2 — CID 72712253

IUPACN-[3-[2-(3-fluorophenyl)ethoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide
SMILESO=C(Nc1cccc(OCCc2cccc(F)c2)c1)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C25H26FN3O2/c26-21-4-1-3-19(17-21)11-16-31-24-6-2-5-22(18-24)28-25(30)20-9-14-29(15-10-20)23-7-12-27-13-8-23/h1-8,12-13,17-18,20H,9-11,14-16H2,(H,28,30)
InChIKeyBRPVJMOWTZRDEM-UHFFFAOYSA-N
MW419.50 g/mol
LogP4.70
Rot. Bonds7

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

N-[3-[2-(3-fluorophenyl)ethoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide (PubChem CID 72712253) has the molecular formula C25H26FN3O2 and a molecular weight of 419.50 g/mol. Its IUPAC name is N-[3-[2-(3-fluorophenyl)ethoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(3-fluorophenyl)ethoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide
PubChem CID72712253
Molecular FormulaC25H26FN3O2
Molecular Weight419.50 g/mol
Exact Mass419.20
IUPAC NameN-[3-[2-(3-fluorophenyl)ethoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide
SMILESO=C(Nc1cccc(OCCc2cccc(F)c2)c1)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C25H26FN3O2/c26-21-4-1-3-19(17-21)11-16-31-24-6-2-5-22(18-24)28-25(30)20-9-14-29(15-10-20)23-7-12-27-13-8-23/h1-8,12-13,17-18,20H,9-11,14-16H2,(H,28,30)
InChIKeyBRPVJMOWTZRDEM-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3-fluorophenyl)ethoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
The IUPAC name of N-[3-[2-(3-fluorophenyl)ethoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide (CID 72712253) is N-[3-[2-(3-fluorophenyl)ethoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-[2-(3-fluorophenyl)ethoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-[2-(3-fluorophenyl)ethoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide is O=C(Nc1cccc(OCCc2cccc(F)c2)c1)C1CCN(c2ccncc2)CC1.
What is the InChIKey of N-[3-[2-(3-fluorophenyl)ethoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
The InChIKey is BRPVJMOWTZRDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O2/c26-21-4-1-3-19(17-21)11-16-31-24-6-2-5-22(18-24)28-25(30)20-9-14-29(15-10-20)23-7-12-27-13-8-23/h1-8,12-13,17-18,20H,9-11,14-16H2,(H,28,30).
What are the key properties of N-[3-[2-(3-fluorophenyl)ethoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
N-[3-[2-(3-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-(3-fluorophenyl)ethoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide is sourced from PubChem (CID 72712253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).