N-[2-[4-[(2,5-difluorophenyl)methyl]piperidin-1-yl]ethyl]-2-thiophen-2-ylacetamide;hydrochloride

C20H25ClF2N2OS — CID 139726376

IUPACN-[2-[4-[(2,5-difluorophenyl)methyl]piperidin-1-yl]ethyl]-2-thiophen-2-ylacetamide;hydrochloride
SMILESCl.O=C(Cc1cccs1)NCCN1CCC(Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C20H24F2N2OS.ClH/c21-17-3-4-19(22)16(13-17)12-15-5-8-24(9-6-15)10-7-23-20(25)14-18-2-1-11-26-18;/h1-4,11,13,15H,5-10,12,14H2,(H,23,25);1H
InChIKeyAUHJPNLKKDJQBH-UHFFFAOYSA-N
MW414.95 g/mol
LogP4.06
Rot. Bonds7

About N-[2-[4-[(2,5-difluorophenyl)methyl]piperidin-1-yl]ethyl]-2-thiophen-2-ylacetamide;hydrochloride

N-[2-[4-[(2,5-difluorophenyl)methyl]piperidin-1-yl]ethyl]-2-thiophen-2-ylacetamide;hydrochloride (PubChem CID 139726376) has the molecular formula C20H25ClF2N2OS and a molecular weight of 414.95 g/mol. Its IUPAC name is N-[2-[4-[(2,5-difluorophenyl)methyl]piperidin-1-yl]ethyl]-2-thiophen-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[4-[(2,5-difluorophenyl)methyl]piperidin-1-yl]ethyl]-2-thiophen-2-ylacetamide;hydrochloride
PubChem CID139726376
Molecular FormulaC20H25ClF2N2OS
Molecular Weight414.95 g/mol
Exact Mass414.13
IUPAC NameN-[2-[4-[(2,5-difluorophenyl)methyl]piperidin-1-yl]ethyl]-2-thiophen-2-ylacetamide;hydrochloride
SMILESCl.O=C(Cc1cccs1)NCCN1CCC(Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C20H24F2N2OS.ClH/c21-17-3-4-19(22)16(13-17)12-15-5-8-24(9-6-15)10-7-23-20(25)14-18-2-1-11-26-18;/h1-4,11,13,15H,5-10,12,14H2,(H,23,25);1H
InChIKeyAUHJPNLKKDJQBH-UHFFFAOYSA-N
XLogP4.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.95
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[4-[(2,5-difluorophenyl)methyl]piperidin-1-yl]ethyl]-2-thiophen-2-ylacetamide;hydrochloride 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

N-[2-(2,5-difluorophenyl)ethyl]-2-thiophen-2-ylacetamide
CID 110788173
4-fluoro-N-[2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]ethyl]benzamide;hydrochloride
CID 139726411
2,4-difluoro-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
CID 90522591
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-[2-(4-benzoylpiperazin-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110397782
N-(3-piperazin-1-ylpropyl)-2-thiophen-2-ylacetamide;hydrochloride
CID 119393187
3-fluoro-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide
CID 108542051
3-(2,5-difluorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]propanamide
CID 111429680
N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-2-thiophen-2-ylacetamide
CID 129378843
2,5-difluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 47036202
2-[4-(fluoromethyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 171701259
N-[2-[(2-chloroacetyl)amino]ethyl]-2-thiophen-2-ylacetamide
CID 108573266

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(2,5-difluorophenyl)methyl]piperidin-1-yl]ethyl]-2-thiophen-2-ylacetamide;hydrochloride?
The IUPAC name of N-[2-[4-[(2,5-difluorophenyl)methyl]piperidin-1-yl]ethyl]-2-thiophen-2-ylacetamide;hydrochloride (CID 139726376) is N-[2-[4-[(2,5-difluorophenyl)methyl]piperidin-1-yl]ethyl]-2-thiophen-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-[2-[4-[(2,5-difluorophenyl)methyl]piperidin-1-yl]ethyl]-2-thiophen-2-ylacetamide;hydrochloride?
The canonical SMILES for N-[2-[4-[(2,5-difluorophenyl)methyl]piperidin-1-yl]ethyl]-2-thiophen-2-ylacetamide;hydrochloride is Cl.O=C(Cc1cccs1)NCCN1CCC(Cc2cc(F)ccc2F)CC1.
What is the InChIKey of N-[2-[4-[(2,5-difluorophenyl)methyl]piperidin-1-yl]ethyl]-2-thiophen-2-ylacetamide;hydrochloride?
The InChIKey is AUHJPNLKKDJQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2OS.ClH/c21-17-3-4-19(22)16(13-17)12-15-5-8-24(9-6-15)10-7-23-20(25)14-18-2-1-11-26-18;/h1-4,11,13,15H,5-10,12,14H2,(H,23,25);1H.
What are the key properties of N-[2-[4-[(2,5-difluorophenyl)methyl]piperidin-1-yl]ethyl]-2-thiophen-2-ylacetamide;hydrochloride?
N-[2-[4-[(2,5-difluorophenyl)methyl]piperidin-1-yl]ethyl]-2-thiophen-2-ylacetamide;hydrochloride has a molecular weight of 414.95 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(2,5-difluorophenyl)methyl]piperidin-1-yl]ethyl]-2-thiophen-2-ylacetamide;hydrochloride is sourced from PubChem (CID 139726376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).