N-[(4-bromothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide

C13H19BrN2O2S — CID 110898936

IUPACN-[(4-bromothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCCCC1CO)NCc1cc(Br)cs1
InChIInChI=1S/C13H19BrN2O2S/c14-10-5-12(19-9-10)6-15-13(18)7-16-4-2-1-3-11(16)8-17/h5,9,11,17H,1-4,6-8H2,(H,15,18)
InChIKeyZNBOVLBOZVFARO-UHFFFAOYSA-N
MW347.28 g/mol
LogP1.97
Rot. Bonds5

About N-[(4-bromothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide

N-[(4-bromothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide (PubChem CID 110898936) has the molecular formula C13H19BrN2O2S and a molecular weight of 347.28 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
PubChem CID110898936
Molecular FormulaC13H19BrN2O2S
Molecular Weight347.28 g/mol
Exact Mass346.04
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCCCC1CO)NCc1cc(Br)cs1
InChIInChI=1S/C13H19BrN2O2S/c14-10-5-12(19-9-10)6-15-13(18)7-16-4-2-1-3-11(16)8-17/h5,9,11,17H,1-4,6-8H2,(H,15,18)
InChIKeyZNBOVLBOZVFARO-UHFFFAOYSA-N
XLogP1.97
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.28
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(4-bromothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide 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

(2S)-1-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 125149797
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 78942399
N-(3-bromophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684623
2-[2-(hydroxymethyl)azepan-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 116637722
N-[(4-bromothiophen-2-yl)methyl]cyclopropanecarboxamide
CID 47250199
N-(4-bromo-2-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60685225
2-[2-(hydroxymethyl)piperidin-1-yl]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 110898937
2-[2-(hydroxymethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 60684790
N-(4-bromo-2-chlorophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
CID 116637305
3-[1-[(4-bromothiophen-2-yl)methyl]piperidin-2-yl]propanoic acid
CID 62215668
N-[(4-bromothiophen-2-yl)methyl]-2-(2-ethylpiperidin-1-yl)ethanamine
CID 62575589
N-(4-amino-2-bromophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 61406852

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide (CID 110898936) is N-[(4-bromothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide is O=C(CN1CCCCC1CO)NCc1cc(Br)cs1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide?
The InChIKey is ZNBOVLBOZVFARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2S/c14-10-5-12(19-9-10)6-15-13(18)7-16-4-2-1-3-11(16)8-17/h5,9,11,17H,1-4,6-8H2,(H,15,18).
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide?
N-[(4-bromothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide has a molecular weight of 347.28 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 110898936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).