N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)-3-(2-methylphenyl)propanamide

C26H35FN2O2 — CID 25459847

IUPACN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)-3-(2-methylphenyl)propanamide
SMILESCOCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)CCc1ccccc1C
InChIInChI=1S/C26H35FN2O2/c1-21-7-3-4-8-23(21)11-12-26(30)29(17-18-31-2)19-22-13-15-28(16-14-22)20-24-9-5-6-10-25(24)27/h3-10,22H,11-20H2,1-2H3
InChIKeySZJUIQMDAGIMBB-UHFFFAOYSA-N
MW426.58 g/mol
LogP4.45
Rot. Bonds10

About N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)-3-(2-methylphenyl)propanamide

N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)-3-(2-methylphenyl)propanamide (PubChem CID 25459847) has the molecular formula C26H35FN2O2 and a molecular weight of 426.58 g/mol. Its IUPAC name is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)-3-(2-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)-3-(2-methylphenyl)propanamide
PubChem CID25459847
Molecular FormulaC26H35FN2O2
Molecular Weight426.58 g/mol
Exact Mass426.27
IUPAC NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)-3-(2-methylphenyl)propanamide
SMILESCOCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)CCc1ccccc1C
InChIInChI=1S/C26H35FN2O2/c1-21-7-3-4-8-23(21)11-12-26(30)29(17-18-31-2)19-22-13-15-28(16-14-22)20-24-9-5-6-10-25(24)27/h3-10,22H,11-20H2,1-2H3
InChIKeySZJUIQMDAGIMBB-UHFFFAOYSA-N
XLogP4.45
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.58
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)-3-(2-methylphenyl)propanamide 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-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)-3-(2-methylphenyl)propanamide?
The IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)-3-(2-methylphenyl)propanamide (CID 25459847) is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)-3-(2-methylphenyl)propanamide.
What is the SMILES notation for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)-3-(2-methylphenyl)propanamide?
The canonical SMILES for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)-3-(2-methylphenyl)propanamide is COCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)CCc1ccccc1C.
What is the InChIKey of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)-3-(2-methylphenyl)propanamide?
The InChIKey is SZJUIQMDAGIMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35FN2O2/c1-21-7-3-4-8-23(21)11-12-26(30)29(17-18-31-2)19-22-13-15-28(16-14-22)20-24-9-5-6-10-25(24)27/h3-10,22H,11-20H2,1-2H3.
What are the key properties of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)-3-(2-methylphenyl)propanamide?
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)-3-(2-methylphenyl)propanamide has a molecular weight of 426.58 g/mol, XLogP of 4.45, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)-3-(2-methylphenyl)propanamide is sourced from PubChem (CID 25459847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).