About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluoro-2-methylphenyl)-1-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide;hydrochloride
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluoro-2-methylphenyl)-1-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 87761993) has the molecular formula C25H28ClF7N2O2
and a molecular weight of 556.95 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluoro-2-methylphenyl)-1-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide;hydrochloride.
Molecular Properties
| Compound Name | N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluoro-2-methylphenyl)-1-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide;hydrochloride |
|---|
| PubChem CID | 87761993 |
|---|
| Molecular Formula | C25H28ClF7N2O2 |
|---|
| Molecular Weight | 556.95 g/mol |
|---|
| Exact Mass | 556.17 |
|---|
| IUPAC Name | N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluoro-2-methylphenyl)-1-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide;hydrochloride |
|---|
| SMILES | Cc1cc(F)ccc1C1CN(CCO)CCC1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cl |
|---|
| InChI | InChI=1S/C25H27F7N2O2.ClH/c1-15-9-19(26)3-4-20(15)22-14-34(7-8-35)6-5-21(22)23(36)33(2)13-16-10-17(24(27,28)29)12-18(11-16)25(30,31)32;/h3-4,9-12,21-22,35H,5-8,13-14H2,1-2H3;1H |
|---|
| InChIKey | BIGDCNOODOKMDQ-UHFFFAOYSA-N |
|---|
| XLogP | 5.65 |
|---|
| TPSA | 43.78 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 3 |
|---|
| Rotatable Bonds | 6 |
|---|
| Heavy Atoms | 37 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 556.95 |
| LogP ≤ 5 | 5.65 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
Analyze N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluoro-2-methylphenyl)-1-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide;hydrochloride 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-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluoro-2-methylphenyl)-1-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluoro-2-methylphenyl)-1-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide;hydrochloride (CID 87761993) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluoro-2-methylphenyl)-1-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluoro-2-methylphenyl)-1-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluoro-2-methylphenyl)-1-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide;hydrochloride is Cc1cc(F)ccc1C1CN(CCO)CCC1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cl.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluoro-2-methylphenyl)-1-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is BIGDCNOODOKMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F7N2O2.ClH/c1-15-9-19(26)3-4-20(15)22-14-34(7-8-35)6-5-21(22)23(36)33(2)13-16-10-17(24(27,28)29)12-18(11-16)25(30,31)32;/h3-4,9-12,21-22,35H,5-8,13-14H2,1-2H3;1H.
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluoro-2-methylphenyl)-1-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide;hydrochloride?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluoro-2-methylphenyl)-1-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 556.95 g/mol, XLogP of 5.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluoro-2-methylphenyl)-1-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 87761993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).