1-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

C28H29F3N2O2 — CID 134803454

IUPAC1-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCOc1ccccc1-c1cccc(CN2CCCC(C(=O)NCc3cccc(C(F)(F)F)c3)C2)c1
InChIInChI=1S/C28H29F3N2O2/c1-35-26-13-3-2-12-25(26)22-9-4-8-21(15-22)18-33-14-6-10-23(19-33)27(34)32-17-20-7-5-11-24(16-20)28(29,30)31/h2-5,7-9,11-13,15-16,23H,6,10,14,17-19H2,1H3,(H,32,34)
InChIKeyIHZKGTNEGAZYKS-UHFFFAOYSA-N
MW482.55 g/mol
LogP5.91
Rot. Bonds7

About 1-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

1-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 134803454) has the molecular formula C28H29F3N2O2 and a molecular weight of 482.55 g/mol. Its IUPAC name is 1-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID134803454
Molecular FormulaC28H29F3N2O2
Molecular Weight482.55 g/mol
Exact Mass482.22
IUPAC Name1-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCOc1ccccc1-c1cccc(CN2CCCC(C(=O)NCc3cccc(C(F)(F)F)c3)C2)c1
InChIInChI=1S/C28H29F3N2O2/c1-35-26-13-3-2-12-25(26)22-9-4-8-21(15-22)18-33-14-6-10-23(19-33)27(34)32-17-20-7-5-11-24(16-20)28(29,30)31/h2-5,7-9,11-13,15-16,23H,6,10,14,17-19H2,1H3,(H,32,34)
InChIKeyIHZKGTNEGAZYKS-UHFFFAOYSA-N
XLogP5.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.55
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (CID 134803454) is 1-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is COc1ccccc1-c1cccc(CN2CCCC(C(=O)NCc3cccc(C(F)(F)F)c3)C2)c1.
What is the InChIKey of 1-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is IHZKGTNEGAZYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F3N2O2/c1-35-26-13-3-2-12-25(26)22-9-4-8-21(15-22)18-33-14-6-10-23(19-33)27(34)32-17-20-7-5-11-24(16-20)28(29,30)31/h2-5,7-9,11-13,15-16,23H,6,10,14,17-19H2,1H3,(H,32,34).
What are the key properties of 1-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
1-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 482.55 g/mol, XLogP of 5.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 134803454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).