3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-(3-methylphenyl)piperidine-1-carboxamide

C26H33N3O4 — CID 55836469

IUPAC3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-(3-methylphenyl)piperidine-1-carboxamide
SMILESCOc1ccc(C2CCCN2C(=O)C2CCCN(C(=O)Nc3cccc(C)c3)C2)c(OC)c1
InChIInChI=1S/C26H33N3O4/c1-18-7-4-9-20(15-18)27-26(31)28-13-5-8-19(17-28)25(30)29-14-6-10-23(29)22-12-11-21(32-2)16-24(22)33-3/h4,7,9,11-12,15-16,19,23H,5-6,8,10,13-14,17H2,1-3H3,(H,27,31)
InChIKeyLZTMMPQFFDLZFK-UHFFFAOYSA-N
MW451.57 g/mol
LogP4.62
Rot. Bonds5

About 3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-(3-methylphenyl)piperidine-1-carboxamide

3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-(3-methylphenyl)piperidine-1-carboxamide (PubChem CID 55836469) has the molecular formula C26H33N3O4 and a molecular weight of 451.57 g/mol. Its IUPAC name is 3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-(3-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-(3-methylphenyl)piperidine-1-carboxamide
PubChem CID55836469
Molecular FormulaC26H33N3O4
Molecular Weight451.57 g/mol
Exact Mass451.25
IUPAC Name3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-(3-methylphenyl)piperidine-1-carboxamide
SMILESCOc1ccc(C2CCCN2C(=O)C2CCCN(C(=O)Nc3cccc(C)c3)C2)c(OC)c1
InChIInChI=1S/C26H33N3O4/c1-18-7-4-9-20(15-18)27-26(31)28-13-5-8-19(17-28)25(30)29-14-6-10-23(29)22-12-11-21(32-2)16-24(22)33-3/h4,7,9,11-12,15-16,19,23H,5-6,8,10,13-14,17H2,1-3H3,(H,27,31)
InChIKeyLZTMMPQFFDLZFK-UHFFFAOYSA-N
XLogP4.62
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-(3-methylphenyl)piperidine-1-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

(3R)-3-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 40919247
(2R)-2-(2,4-dimethoxyphenyl)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 92800272
(2S)-2-(2,4-dimethoxyphenyl)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 92800271
(3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 51458679
3-N-(2-methoxyphenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817552
[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[1-(2-phenylethyl)piperidin-3-yl]methanone
CID 122134394
2-N-(2,4-dimethoxyphenyl)-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3230202
1-[1-[(3-methylphenyl)carbamoyl]piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119355069
3-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 55982371
ethyl 4-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate
CID 42920226
N-(3-methoxyphenyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 53013061
3-N-methyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 47323838

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-(3-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of 3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-(3-methylphenyl)piperidine-1-carboxamide (CID 55836469) is 3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-(3-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-(3-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-(3-methylphenyl)piperidine-1-carboxamide is COc1ccc(C2CCCN2C(=O)C2CCCN(C(=O)Nc3cccc(C)c3)C2)c(OC)c1.
What is the InChIKey of 3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-(3-methylphenyl)piperidine-1-carboxamide?
The InChIKey is LZTMMPQFFDLZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4/c1-18-7-4-9-20(15-18)27-26(31)28-13-5-8-19(17-28)25(30)29-14-6-10-23(29)22-12-11-21(32-2)16-24(22)33-3/h4,7,9,11-12,15-16,19,23H,5-6,8,10,13-14,17H2,1-3H3,(H,27,31).
What are the key properties of 3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-(3-methylphenyl)piperidine-1-carboxamide?
3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-(3-methylphenyl)piperidine-1-carboxamide has a molecular weight of 451.57 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-(3-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 55836469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).