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

C17H27BrN2O2S — CID 78903323

IUPACN-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-[4-(2-methylpropoxy)piperidin-1-yl]acetamide
SMILESCC(C)COC1CCN(CC(=O)N(C)Cc2cc(Br)cs2)CC1
InChIInChI=1S/C17H27BrN2O2S/c1-13(2)11-22-15-4-6-20(7-5-15)10-17(21)19(3)9-16-8-14(18)12-23-16/h8,12-13,15H,4-7,9-11H2,1-3H3
InChIKeyGNILAAJPXGGHEZ-UHFFFAOYSA-N
MW403.39 g/mol
LogP3.61
Rot. Bonds7

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

N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-[4-(2-methylpropoxy)piperidin-1-yl]acetamide (PubChem CID 78903323) has the molecular formula C17H27BrN2O2S and a molecular weight of 403.39 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-[4-(2-methylpropoxy)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-[4-(2-methylpropoxy)piperidin-1-yl]acetamide
PubChem CID78903323
Molecular FormulaC17H27BrN2O2S
Molecular Weight403.39 g/mol
Exact Mass402.10
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-[4-(2-methylpropoxy)piperidin-1-yl]acetamide
SMILESCC(C)COC1CCN(CC(=O)N(C)Cc2cc(Br)cs2)CC1
InChIInChI=1S/C17H27BrN2O2S/c1-13(2)11-22-15-4-6-20(7-5-15)10-17(21)19(3)9-16-8-14(18)12-23-16/h8,12-13,15H,4-7,9-11H2,1-3H3
InChIKeyGNILAAJPXGGHEZ-UHFFFAOYSA-N
XLogP3.61
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-[4-(2-methylpropoxy)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

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-[4-(2-methylpropoxy)piperidin-1-yl]acetamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-[4-(2-methylpropoxy)piperidin-1-yl]acetamide (CID 78903323) is N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-[4-(2-methylpropoxy)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-[4-(2-methylpropoxy)piperidin-1-yl]acetamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-[4-(2-methylpropoxy)piperidin-1-yl]acetamide is CC(C)COC1CCN(CC(=O)N(C)Cc2cc(Br)cs2)CC1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-[4-(2-methylpropoxy)piperidin-1-yl]acetamide?
The InChIKey is GNILAAJPXGGHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2O2S/c1-13(2)11-22-15-4-6-20(7-5-15)10-17(21)19(3)9-16-8-14(18)12-23-16/h8,12-13,15H,4-7,9-11H2,1-3H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-[4-(2-methylpropoxy)piperidin-1-yl]acetamide?
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-[4-(2-methylpropoxy)piperidin-1-yl]acetamide has a molecular weight of 403.39 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-[4-(2-methylpropoxy)piperidin-1-yl]acetamide is sourced from PubChem (CID 78903323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).