About N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 514996) has the molecular formula C27H32Cl2FN3O2
and a molecular weight of 520.48 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.
Molecular Properties
| Compound Name | N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-1-methyl-5-oxopyrrolidine-3-carboxamide |
|---|
| PubChem CID | 514996 |
|---|
| Molecular Formula | C27H32Cl2FN3O2 |
|---|
| Molecular Weight | 520.48 g/mol |
|---|
| Exact Mass | 519.19 |
|---|
| IUPAC Name | N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-1-methyl-5-oxopyrrolidine-3-carboxamide |
|---|
| SMILES | CN1CC(C(=O)N(CCCN2CCC(Cc3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1=O |
|---|
| InChI | InChI=1S/C27H32Cl2FN3O2/c1-31-18-21(16-26(31)34)27(35)33(23-7-8-24(28)25(29)17-23)12-2-11-32-13-9-20(10-14-32)15-19-3-5-22(30)6-4-19/h3-8,17,20-21H,2,9-16,18H2,1H3 |
|---|
| InChIKey | MTFQBYPFEMFFPR-UHFFFAOYSA-N |
|---|
| XLogP | 5.29 |
|---|
| TPSA | 43.86 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 3 |
|---|
| Rotatable Bonds | 8 |
|---|
| Heavy Atoms | 35 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 520.48 |
| LogP ≤ 5 | 5.29 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Analyze N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-1-methyl-5-oxopyrrolidine-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
Frequently Asked Questions
What is the IUPAC name of N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 514996) is N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is CN1CC(C(=O)N(CCCN2CCC(Cc3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1=O.
What is the InChIKey of N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MTFQBYPFEMFFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32Cl2FN3O2/c1-31-18-21(16-26(31)34)27(35)33(23-7-8-24(28)25(29)17-23)12-2-11-32-13-9-20(10-14-32)15-19-3-5-22(30)6-4-19/h3-8,17,20-21H,2,9-16,18H2,1H3.
What are the key properties of N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 520.48 g/mol, XLogP of 5.29, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 514996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).