N-[2-[2-(4-methoxy-2,3-dimethylphenyl)piperidin-1-yl]ethyl]-4-(trifluoromethyl)benzamide

C24H29F3N2O2 — CID 11517691

IUPACN-[2-[2-(4-methoxy-2,3-dimethylphenyl)piperidin-1-yl]ethyl]-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(C2CCCCN2CCNC(=O)c2ccc(C(F)(F)F)cc2)c(C)c1C
InChIInChI=1S/C24H29F3N2O2/c1-16-17(2)22(31-3)12-11-20(16)21-6-4-5-14-29(21)15-13-28-23(30)18-7-9-19(10-8-18)24(25,26)27/h7-12,21H,4-6,13-15H2,1-3H3,(H,28,30)
InChIKeyTVAKAHWNVGVEPM-UHFFFAOYSA-N
MW434.50 g/mol
LogP5.29
Rot. Bonds6

About N-[2-[2-(4-methoxy-2,3-dimethylphenyl)piperidin-1-yl]ethyl]-4-(trifluoromethyl)benzamide

N-[2-[2-(4-methoxy-2,3-dimethylphenyl)piperidin-1-yl]ethyl]-4-(trifluoromethyl)benzamide (PubChem CID 11517691) has the molecular formula C24H29F3N2O2 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[2-[2-(4-methoxy-2,3-dimethylphenyl)piperidin-1-yl]ethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[2-(4-methoxy-2,3-dimethylphenyl)piperidin-1-yl]ethyl]-4-(trifluoromethyl)benzamide
PubChem CID11517691
Molecular FormulaC24H29F3N2O2
Molecular Weight434.50 g/mol
Exact Mass434.22
IUPAC NameN-[2-[2-(4-methoxy-2,3-dimethylphenyl)piperidin-1-yl]ethyl]-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(C2CCCCN2CCNC(=O)c2ccc(C(F)(F)F)cc2)c(C)c1C
InChIInChI=1S/C24H29F3N2O2/c1-16-17(2)22(31-3)12-11-20(16)21-6-4-5-14-29(21)15-13-28-23(30)18-7-9-19(10-8-18)24(25,26)27/h7-12,21H,4-6,13-15H2,1-3H3,(H,28,30)
InChIKeyTVAKAHWNVGVEPM-UHFFFAOYSA-N
XLogP5.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.50
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[2-(4-methoxy-2,3-dimethylphenyl)piperidin-1-yl]ethyl]-4-(trifluoromethyl)benzamide 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-[2-[2-(4-methoxy-2,3-dimethylphenyl)piperidin-1-yl]ethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[2-(4-methoxy-2,3-dimethylphenyl)piperidin-1-yl]ethyl]-4-(trifluoromethyl)benzamide (CID 11517691) is N-[2-[2-(4-methoxy-2,3-dimethylphenyl)piperidin-1-yl]ethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[2-(4-methoxy-2,3-dimethylphenyl)piperidin-1-yl]ethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[2-(4-methoxy-2,3-dimethylphenyl)piperidin-1-yl]ethyl]-4-(trifluoromethyl)benzamide is COc1ccc(C2CCCCN2CCNC(=O)c2ccc(C(F)(F)F)cc2)c(C)c1C.
What is the InChIKey of N-[2-[2-(4-methoxy-2,3-dimethylphenyl)piperidin-1-yl]ethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is TVAKAHWNVGVEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N2O2/c1-16-17(2)22(31-3)12-11-20(16)21-6-4-5-14-29(21)15-13-28-23(30)18-7-9-19(10-8-18)24(25,26)27/h7-12,21H,4-6,13-15H2,1-3H3,(H,28,30).
What are the key properties of N-[2-[2-(4-methoxy-2,3-dimethylphenyl)piperidin-1-yl]ethyl]-4-(trifluoromethyl)benzamide?
N-[2-[2-(4-methoxy-2,3-dimethylphenyl)piperidin-1-yl]ethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 434.50 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methoxy-2,3-dimethylphenyl)piperidin-1-yl]ethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 11517691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).