N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-5-phenyl-1,2,3,6-tetrahydropyridine-4-carboxamide

C23H22F6N2O — CID 87620068

IUPACN-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-5-phenyl-1,2,3,6-tetrahydropyridine-4-carboxamide
SMILESC[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(C)C(=O)C1=C(c2ccccc2)CNCC1
InChIInChI=1S/C23H22F6N2O/c1-14(16-10-17(22(24,25)26)12-18(11-16)23(27,28)29)31(2)21(32)19-8-9-30-13-20(19)15-6-4-3-5-7-15/h3-7,10-12,14,30H,8-9,13H2,1-2H3/t14-/m1/s1
InChIKeyKQWMHKWKIQQVBQ-CQSZACIVSA-N
MW456.43 g/mol
LogP5.69
Rot. Bonds4

About N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-5-phenyl-1,2,3,6-tetrahydropyridine-4-carboxamide

N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-5-phenyl-1,2,3,6-tetrahydropyridine-4-carboxamide (PubChem CID 87620068) has the molecular formula C23H22F6N2O and a molecular weight of 456.43 g/mol. Its IUPAC name is N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-5-phenyl-1,2,3,6-tetrahydropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-5-phenyl-1,2,3,6-tetrahydropyridine-4-carboxamide
PubChem CID87620068
Molecular FormulaC23H22F6N2O
Molecular Weight456.43 g/mol
Exact Mass456.16
IUPAC NameN-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-5-phenyl-1,2,3,6-tetrahydropyridine-4-carboxamide
SMILESC[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(C)C(=O)C1=C(c2ccccc2)CNCC1
InChIInChI=1S/C23H22F6N2O/c1-14(16-10-17(22(24,25)26)12-18(11-16)23(27,28)29)31(2)21(32)19-8-9-30-13-20(19)15-6-4-3-5-7-15/h3-7,10-12,14,30H,8-9,13H2,1-2H3/t14-/m1/s1
InChIKeyKQWMHKWKIQQVBQ-CQSZACIVSA-N
XLogP5.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.43
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-5-phenyl-1,2,3,6-tetrahydropyridine-4-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-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-5-phenyl-1,2,3,6-tetrahydropyridine-4-carboxamide?
The IUPAC name of N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-5-phenyl-1,2,3,6-tetrahydropyridine-4-carboxamide (CID 87620068) is N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-5-phenyl-1,2,3,6-tetrahydropyridine-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-5-phenyl-1,2,3,6-tetrahydropyridine-4-carboxamide?
The canonical SMILES for N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-5-phenyl-1,2,3,6-tetrahydropyridine-4-carboxamide is C[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(C)C(=O)C1=C(c2ccccc2)CNCC1.
What is the InChIKey of N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-5-phenyl-1,2,3,6-tetrahydropyridine-4-carboxamide?
The InChIKey is KQWMHKWKIQQVBQ-CQSZACIVSA-N. The full InChI is InChI=1S/C23H22F6N2O/c1-14(16-10-17(22(24,25)26)12-18(11-16)23(27,28)29)31(2)21(32)19-8-9-30-13-20(19)15-6-4-3-5-7-15/h3-7,10-12,14,30H,8-9,13H2,1-2H3/t14-/m1/s1.
What are the key properties of N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-5-phenyl-1,2,3,6-tetrahydropyridine-4-carboxamide?
N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-5-phenyl-1,2,3,6-tetrahydropyridine-4-carboxamide has a molecular weight of 456.43 g/mol, XLogP of 5.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-5-phenyl-1,2,3,6-tetrahydropyridine-4-carboxamide is sourced from PubChem (CID 87620068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).