N-(1-benzylpiperidin-3-yl)-2-(2-bromo-4-cyano-6-ethoxyphenoxy)acetamide

C23H26BrN3O3 — CID 55682966

IUPACN-(1-benzylpiperidin-3-yl)-2-(2-bromo-4-cyano-6-ethoxyphenoxy)acetamide
SMILESCCOc1cc(C#N)cc(Br)c1OCC(=O)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C23H26BrN3O3/c1-2-29-21-12-18(13-25)11-20(24)23(21)30-16-22(28)26-19-9-6-10-27(15-19)14-17-7-4-3-5-8-17/h3-5,7-8,11-12,19H,2,6,9-10,14-16H2,1H3,(H,26,28)
InChIKeyGMVSKRQIDBKDKR-UHFFFAOYSA-N
MW472.38 g/mol
LogP3.88
Rot. Bonds8

About N-(1-benzylpiperidin-3-yl)-2-(2-bromo-4-cyano-6-ethoxyphenoxy)acetamide

N-(1-benzylpiperidin-3-yl)-2-(2-bromo-4-cyano-6-ethoxyphenoxy)acetamide (PubChem CID 55682966) has the molecular formula C23H26BrN3O3 and a molecular weight of 472.38 g/mol. Its IUPAC name is N-(1-benzylpiperidin-3-yl)-2-(2-bromo-4-cyano-6-ethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-3-yl)-2-(2-bromo-4-cyano-6-ethoxyphenoxy)acetamide
PubChem CID55682966
Molecular FormulaC23H26BrN3O3
Molecular Weight472.38 g/mol
Exact Mass471.12
IUPAC NameN-(1-benzylpiperidin-3-yl)-2-(2-bromo-4-cyano-6-ethoxyphenoxy)acetamide
SMILESCCOc1cc(C#N)cc(Br)c1OCC(=O)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C23H26BrN3O3/c1-2-29-21-12-18(13-25)11-20(24)23(21)30-16-22(28)26-19-9-6-10-27(15-19)14-17-7-4-3-5-8-17/h3-5,7-8,11-12,19H,2,6,9-10,14-16H2,1H3,(H,26,28)
InChIKeyGMVSKRQIDBKDKR-UHFFFAOYSA-N
XLogP3.88
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-benzylpiperidin-3-yl)-2-(2-bromo-4-cyano-6-ethoxyphenoxy)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

2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(4-hydroxy-4-methylcyclohexyl)acetamide
CID 75534322
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide
CID 55762616
N-(1-benzylpiperidin-3-yl)butanamide
CID 60756097
2-(4-aminophenoxy)-N-(1-benzylpiperidin-3-yl)acetamide
CID 113239292
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[(3-bromophenyl)methyl]acetamide
CID 55670276
2-(4-cyano-2-ethoxyphenoxy)-N-cyclopentylacetamide
CID 7993285
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-propan-2-ylacetamide
CID 39877203
N-(1-benzylpyrrolidin-3-yl)-2-(2-chlorophenoxy)acetamide
CID 18156311
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(3-cyanophenyl)acetamide
CID 38468772
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 112822089
N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(2-phenylphenoxy)acetamide
CID 41095172
2-[4-[[(1-benzylpiperidin-4-yl)amino]methyl]-2-bromo-6-ethoxyphenoxy]acetamide;dihydrochloride
CID 17159140

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-3-yl)-2-(2-bromo-4-cyano-6-ethoxyphenoxy)acetamide?
The IUPAC name of N-(1-benzylpiperidin-3-yl)-2-(2-bromo-4-cyano-6-ethoxyphenoxy)acetamide (CID 55682966) is N-(1-benzylpiperidin-3-yl)-2-(2-bromo-4-cyano-6-ethoxyphenoxy)acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-3-yl)-2-(2-bromo-4-cyano-6-ethoxyphenoxy)acetamide?
The canonical SMILES for N-(1-benzylpiperidin-3-yl)-2-(2-bromo-4-cyano-6-ethoxyphenoxy)acetamide is CCOc1cc(C#N)cc(Br)c1OCC(=O)NC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of N-(1-benzylpiperidin-3-yl)-2-(2-bromo-4-cyano-6-ethoxyphenoxy)acetamide?
The InChIKey is GMVSKRQIDBKDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26BrN3O3/c1-2-29-21-12-18(13-25)11-20(24)23(21)30-16-22(28)26-19-9-6-10-27(15-19)14-17-7-4-3-5-8-17/h3-5,7-8,11-12,19H,2,6,9-10,14-16H2,1H3,(H,26,28).
What are the key properties of N-(1-benzylpiperidin-3-yl)-2-(2-bromo-4-cyano-6-ethoxyphenoxy)acetamide?
N-(1-benzylpiperidin-3-yl)-2-(2-bromo-4-cyano-6-ethoxyphenoxy)acetamide has a molecular weight of 472.38 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-3-yl)-2-(2-bromo-4-cyano-6-ethoxyphenoxy)acetamide is sourced from PubChem (CID 55682966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).