5-(4-methoxyphenyl)-2-methyl-1-phenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrrole-3-carboxamide

C26H32N3O2+ — CID 7231138

IUPAC5-(4-methoxyphenyl)-2-methyl-1-phenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrrole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCC[NH+]3CCCCC3)c(C)n2-c2ccccc2)cc1
InChIInChI=1S/C26H31N3O2/c1-20-24(26(30)27-15-18-28-16-7-4-8-17-28)19-25(21-11-13-23(31-2)14-12-21)29(20)22-9-5-3-6-10-22/h3,5-6,9-14,19H,4,7-8,15-18H2,1-2H3,(H,27,30)/p+1
InChIKeyAOSSMJLYFHFCDL-UHFFFAOYSA-O
MW418.56 g/mol
LogP3.26
Rot. Bonds7

About 5-(4-methoxyphenyl)-2-methyl-1-phenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrrole-3-carboxamide

5-(4-methoxyphenyl)-2-methyl-1-phenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrrole-3-carboxamide (PubChem CID 7231138) has the molecular formula C26H32N3O2+ and a molecular weight of 418.56 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-2-methyl-1-phenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-2-methyl-1-phenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrrole-3-carboxamide
PubChem CID7231138
Molecular FormulaC26H32N3O2+
Molecular Weight418.56 g/mol
Exact Mass418.25
IUPAC Name5-(4-methoxyphenyl)-2-methyl-1-phenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrrole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCC[NH+]3CCCCC3)c(C)n2-c2ccccc2)cc1
InChIInChI=1S/C26H31N3O2/c1-20-24(26(30)27-15-18-28-16-7-4-8-17-28)19-25(21-11-13-23(31-2)14-12-21)29(20)22-9-5-3-6-10-22/h3,5-6,9-14,19H,4,7-8,15-18H2,1-2H3,(H,27,30)/p+1
InChIKeyAOSSMJLYFHFCDL-UHFFFAOYSA-O
XLogP3.26
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

Analyze 5-(4-methoxyphenyl)-2-methyl-1-phenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrrole-3-carboxamide 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

5-(4-fluorophenyl)-2-methyl-1-(4-methylphenyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrrole-3-carboxamide
CID 7289303
5-(4-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
CID 42785508
N-benzyl-5-(4-methoxyphenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide
CID 7307045
2-methyl-1-(4-methylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-5-phenylpyrrole-3-carboxamide
CID 7218541
1-(3-methoxyphenyl)-N-(3-methoxypropyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 42785432
N-[2-(4-methoxyphenoxy)ethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 6736808
5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpyrrole-3-carboxamide
CID 7307046
1-(2-chlorophenyl)-5-(4-methoxyphenyl)-N-(3-methoxypropyl)-2-methylpyrrole-3-carboxamide
CID 7306923
1-[4-[5-(4-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carbonyl]piperazin-1-yl]ethanone
CID 7231152
5-(3-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
CID 7347913
N-cyclohexyl-5-(3-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carboxamide
CID 7356100
1-(3-methoxyphenyl)-2-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)pyrrole-3-carboxamide
CID 7212347

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-2-methyl-1-phenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrrole-3-carboxamide?
The IUPAC name of 5-(4-methoxyphenyl)-2-methyl-1-phenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrrole-3-carboxamide (CID 7231138) is 5-(4-methoxyphenyl)-2-methyl-1-phenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-2-methyl-1-phenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrrole-3-carboxamide?
The canonical SMILES for 5-(4-methoxyphenyl)-2-methyl-1-phenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrrole-3-carboxamide is COc1ccc(-c2cc(C(=O)NCC[NH+]3CCCCC3)c(C)n2-c2ccccc2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-2-methyl-1-phenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrrole-3-carboxamide?
The InChIKey is AOSSMJLYFHFCDL-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H31N3O2/c1-20-24(26(30)27-15-18-28-16-7-4-8-17-28)19-25(21-11-13-23(31-2)14-12-21)29(20)22-9-5-3-6-10-22/h3,5-6,9-14,19H,4,7-8,15-18H2,1-2H3,(H,27,30)/p+1.
What are the key properties of 5-(4-methoxyphenyl)-2-methyl-1-phenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrrole-3-carboxamide?
5-(4-methoxyphenyl)-2-methyl-1-phenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrrole-3-carboxamide has a molecular weight of 418.56 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-2-methyl-1-phenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 7231138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).