2-[4-(1,3-benzodioxol-5-yl)-2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide

C30H34N2O5 — CID 26358192

IUPAC2-[4-(1,3-benzodioxol-5-yl)-2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)COc2ccc(-c3ccc4c(c3)OCO4)cc2CN2CCC[C@@H](C)C2)cc1
InChIInChI=1S/C30H34N2O5/c1-21-4-3-13-32(17-21)18-25-14-23(24-8-12-28-29(15-24)37-20-36-28)7-11-27(25)35-19-30(33)31-16-22-5-9-26(34-2)10-6-22/h5-12,14-15,21H,3-4,13,16-20H2,1-2H3,(H,31,33)/t21-/m1/s1
InChIKeyRJHAMKMYIAXCGZ-OAQYLSRUSA-N
MW502.61 g/mol
LogP5.02
Rot. Bonds9

About 2-[4-(1,3-benzodioxol-5-yl)-2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide

2-[4-(1,3-benzodioxol-5-yl)-2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 26358192) has the molecular formula C30H34N2O5 and a molecular weight of 502.61 g/mol. Its IUPAC name is 2-[4-(1,3-benzodioxol-5-yl)-2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(1,3-benzodioxol-5-yl)-2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID26358192
Molecular FormulaC30H34N2O5
Molecular Weight502.61 g/mol
Exact Mass502.25
IUPAC Name2-[4-(1,3-benzodioxol-5-yl)-2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)COc2ccc(-c3ccc4c(c3)OCO4)cc2CN2CCC[C@@H](C)C2)cc1
InChIInChI=1S/C30H34N2O5/c1-21-4-3-13-32(17-21)18-25-14-23(24-8-12-28-29(15-24)37-20-36-28)7-11-27(25)35-19-30(33)31-16-22-5-9-26(34-2)10-6-22/h5-12,14-15,21H,3-4,13,16-20H2,1-2H3,(H,31,33)/t21-/m1/s1
InChIKeyRJHAMKMYIAXCGZ-OAQYLSRUSA-N
XLogP5.02
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.61
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(1,3-benzodioxol-5-yl)-2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenoxy]-N-[(4-methoxyphenyl)methyl]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-[4-(1,3-benzodioxol-5-yl)-2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenoxy]-1-(4-methylpiperidin-1-yl)ethanone
CID 42499454
2-[4-(1,3-benzodioxol-5-yl)-2-[(3-methylpiperidin-1-yl)methyl]phenoxy]-N-(4-fluoro-2-methylphenyl)acetamide
CID 45225262
N-[(4-methoxyphenyl)methyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 8903596
N-(1,3-benzodioxol-5-ylmethyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 92684898
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 18083473
2-(2,4-dimethoxyphenyl)-N-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide
CID 51947426
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 112826529
3-(3-fluoro-4-methoxyphenyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 75879898
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 2563855
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]acetamide
CID 40810312
N-[(4-methoxyphenyl)methyl]-2-[4-oxo-6-(piperidin-1-ylmethyl)pyran-3-yl]oxyacetamide
CID 51044682
N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(2-methoxyphenoxy)acetyl]amino]acetamide
CID 112992842

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzodioxol-5-yl)-2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[4-(1,3-benzodioxol-5-yl)-2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide (CID 26358192) is 2-[4-(1,3-benzodioxol-5-yl)-2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(1,3-benzodioxol-5-yl)-2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(1,3-benzodioxol-5-yl)-2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)COc2ccc(-c3ccc4c(c3)OCO4)cc2CN2CCC[C@@H](C)C2)cc1.
What is the InChIKey of 2-[4-(1,3-benzodioxol-5-yl)-2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is RJHAMKMYIAXCGZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C30H34N2O5/c1-21-4-3-13-32(17-21)18-25-14-23(24-8-12-28-29(15-24)37-20-36-28)7-11-27(25)35-19-30(33)31-16-22-5-9-26(34-2)10-6-22/h5-12,14-15,21H,3-4,13,16-20H2,1-2H3,(H,31,33)/t21-/m1/s1.
What are the key properties of 2-[4-(1,3-benzodioxol-5-yl)-2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide?
2-[4-(1,3-benzodioxol-5-yl)-2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 502.61 g/mol, XLogP of 5.02, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzodioxol-5-yl)-2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 26358192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).