N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[4-(4-fluoro-2-methylphenyl)-1-methylpiperidin-4-yl]-N-methylacetamide

C25H27F7N2O — CID 10323839

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[4-(4-fluoro-2-methylphenyl)-1-methylpiperidin-4-yl]-N-methylacetamide
SMILESCc1cc(F)ccc1C1(CC(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN(C)CC1
InChIInChI=1S/C25H27F7N2O/c1-16-10-20(26)4-5-21(16)23(6-8-33(2)9-7-23)14-22(35)34(3)15-17-11-18(24(27,28)29)13-19(12-17)25(30,31)32/h4-5,10-13H,6-9,14-15H2,1-3H3
InChIKeyMFDSKCSKNADMNN-UHFFFAOYSA-N
MW504.49 g/mol
LogP6.18
Rot. Bonds5

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[4-(4-fluoro-2-methylphenyl)-1-methylpiperidin-4-yl]-N-methylacetamide

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[4-(4-fluoro-2-methylphenyl)-1-methylpiperidin-4-yl]-N-methylacetamide (PubChem CID 10323839) has the molecular formula C25H27F7N2O and a molecular weight of 504.49 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[4-(4-fluoro-2-methylphenyl)-1-methylpiperidin-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[4-(4-fluoro-2-methylphenyl)-1-methylpiperidin-4-yl]-N-methylacetamide
PubChem CID10323839
Molecular FormulaC25H27F7N2O
Molecular Weight504.49 g/mol
Exact Mass504.20
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[4-(4-fluoro-2-methylphenyl)-1-methylpiperidin-4-yl]-N-methylacetamide
SMILESCc1cc(F)ccc1C1(CC(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN(C)CC1
InChIInChI=1S/C25H27F7N2O/c1-16-10-20(26)4-5-21(16)23(6-8-33(2)9-7-23)14-22(35)34(3)15-17-11-18(24(27,28)29)13-19(12-17)25(30,31)32/h4-5,10-13H,6-9,14-15H2,1-3H3
InChIKeyMFDSKCSKNADMNN-UHFFFAOYSA-N
XLogP6.18
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.49
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[4-(4-fluoro-2-methylphenyl)-1-methylpiperidin-4-yl]-N-methylacetamide 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]-2-[4-(4-fluoro-2-methylphenyl)-1-methylpiperidin-4-yl]-N-methylacetamide?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[4-(4-fluoro-2-methylphenyl)-1-methylpiperidin-4-yl]-N-methylacetamide (CID 10323839) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[4-(4-fluoro-2-methylphenyl)-1-methylpiperidin-4-yl]-N-methylacetamide.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[4-(4-fluoro-2-methylphenyl)-1-methylpiperidin-4-yl]-N-methylacetamide?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[4-(4-fluoro-2-methylphenyl)-1-methylpiperidin-4-yl]-N-methylacetamide is Cc1cc(F)ccc1C1(CC(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN(C)CC1.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[4-(4-fluoro-2-methylphenyl)-1-methylpiperidin-4-yl]-N-methylacetamide?
The InChIKey is MFDSKCSKNADMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F7N2O/c1-16-10-20(26)4-5-21(16)23(6-8-33(2)9-7-23)14-22(35)34(3)15-17-11-18(24(27,28)29)13-19(12-17)25(30,31)32/h4-5,10-13H,6-9,14-15H2,1-3H3.
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[4-(4-fluoro-2-methylphenyl)-1-methylpiperidin-4-yl]-N-methylacetamide?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[4-(4-fluoro-2-methylphenyl)-1-methylpiperidin-4-yl]-N-methylacetamide has a molecular weight of 504.49 g/mol, XLogP of 6.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[4-(4-fluoro-2-methylphenyl)-1-methylpiperidin-4-yl]-N-methylacetamide is sourced from PubChem (CID 10323839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).