[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]-thiophen-2-ylmethanone

C17H18FNO2S — CID 110411541

IUPAC[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(COc2ccccc2F)CC1
InChIInChI=1S/C17H18FNO2S/c18-14-4-1-2-5-15(14)21-12-13-7-9-19(10-8-13)17(20)16-6-3-11-22-16/h1-6,11,13H,7-10,12H2
InChIKeyPLTSKZHVCGTGRB-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.82
Rot. Bonds4

About [4-[(2-fluorophenoxy)methyl]piperidin-1-yl]-thiophen-2-ylmethanone

[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 110411541) has the molecular formula C17H18FNO2S and a molecular weight of 319.40 g/mol. Its IUPAC name is [4-[(2-fluorophenoxy)methyl]piperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID110411541
Molecular FormulaC17H18FNO2S
Molecular Weight319.40 g/mol
Exact Mass319.10
IUPAC Name[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(COc2ccccc2F)CC1
InChIInChI=1S/C17H18FNO2S/c18-14-4-1-2-5-15(14)21-12-13-7-9-19(10-8-13)17(20)16-6-3-11-22-16/h1-6,11,13H,7-10,12H2
InChIKeyPLTSKZHVCGTGRB-UHFFFAOYSA-N
XLogP3.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-[(2-fluorophenoxy)methyl]piperidin-1-yl]-thiophen-2-ylmethanone with MolForge

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

Launch Full Analysis

Related Compounds

[4-(aminomethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 28706738
[4-(2-hydroxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 121200642
[4-(2-phenoxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 53150724
2-(2-fluorophenoxy)ethyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 78760973
[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 50846846
ethyl 2-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetate
CID 10588916
1-[4-[[2-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 50846663
(3-benzylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 110874320
2-(2-ethoxyphenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 108535595
N-cyclopropyl-2-[[1-(thiophene-2-carbonyl)piperidin-3-yl]methoxy]benzamide
CID 163339679
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311

Frequently Asked Questions

What is the IUPAC name of [4-[(2-fluorophenoxy)methyl]piperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-[(2-fluorophenoxy)methyl]piperidin-1-yl]-thiophen-2-ylmethanone (CID 110411541) is [4-[(2-fluorophenoxy)methyl]piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-[(2-fluorophenoxy)methyl]piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-[(2-fluorophenoxy)methyl]piperidin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCC(COc2ccccc2F)CC1.
What is the InChIKey of [4-[(2-fluorophenoxy)methyl]piperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is PLTSKZHVCGTGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2S/c18-14-4-1-2-5-15(14)21-12-13-7-9-19(10-8-13)17(20)16-6-3-11-22-16/h1-6,11,13H,7-10,12H2.
What are the key properties of [4-[(2-fluorophenoxy)methyl]piperidin-1-yl]-thiophen-2-ylmethanone?
[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 319.40 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-fluorophenoxy)methyl]piperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 110411541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).