N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-(3-methoxyphenyl)-N-methylacetamide

C24H31FN2O2 — CID 42362460

IUPACN-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-(3-methoxyphenyl)-N-methylacetamide
SMILESCOc1cccc(CC(=O)N(C)CC2CCN(CCc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C24H31FN2O2/c1-26(24(28)17-21-4-3-5-23(16-21)29-2)18-20-11-14-27(15-12-20)13-10-19-6-8-22(25)9-7-19/h3-9,16,20H,10-15,17-18H2,1-2H3
InChIKeyQABIDHNABZBQIZ-UHFFFAOYSA-N
MW398.52 g/mol
LogP3.79
Rot. Bonds8

About N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-(3-methoxyphenyl)-N-methylacetamide

N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-(3-methoxyphenyl)-N-methylacetamide (PubChem CID 42362460) has the molecular formula C24H31FN2O2 and a molecular weight of 398.52 g/mol. Its IUPAC name is N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-(3-methoxyphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-(3-methoxyphenyl)-N-methylacetamide
PubChem CID42362460
Molecular FormulaC24H31FN2O2
Molecular Weight398.52 g/mol
Exact Mass398.24
IUPAC NameN-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-(3-methoxyphenyl)-N-methylacetamide
SMILESCOc1cccc(CC(=O)N(C)CC2CCN(CCc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C24H31FN2O2/c1-26(24(28)17-21-4-3-5-23(16-21)29-2)18-20-11-14-27(15-12-20)13-10-19-6-8-22(25)9-7-19/h3-9,16,20H,10-15,17-18H2,1-2H3
InChIKeyQABIDHNABZBQIZ-UHFFFAOYSA-N
XLogP3.79
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.52
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-(3-methoxyphenyl)-N-methylacetamide 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-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-(3-methoxyphenyl)-N-methylacetamide?
The IUPAC name of N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-(3-methoxyphenyl)-N-methylacetamide (CID 42362460) is N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-(3-methoxyphenyl)-N-methylacetamide.
What is the SMILES notation for N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-(3-methoxyphenyl)-N-methylacetamide?
The canonical SMILES for N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-(3-methoxyphenyl)-N-methylacetamide is COc1cccc(CC(=O)N(C)CC2CCN(CCc3ccc(F)cc3)CC2)c1.
What is the InChIKey of N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-(3-methoxyphenyl)-N-methylacetamide?
The InChIKey is QABIDHNABZBQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O2/c1-26(24(28)17-21-4-3-5-23(16-21)29-2)18-20-11-14-27(15-12-20)13-10-19-6-8-22(25)9-7-19/h3-9,16,20H,10-15,17-18H2,1-2H3.
What are the key properties of N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-(3-methoxyphenyl)-N-methylacetamide?
N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-(3-methoxyphenyl)-N-methylacetamide has a molecular weight of 398.52 g/mol, XLogP of 3.79, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-2-(3-methoxyphenyl)-N-methylacetamide is sourced from PubChem (CID 42362460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).