N-(2-methylphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide

C21H23F3N2O — CID 46087035

IUPACN-(2-methylphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CCC(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C21H23F3N2O/c1-15-4-2-3-5-19(15)25-20(27)26-12-10-17(11-13-26)14-16-6-8-18(9-7-16)21(22,23)24/h2-9,17H,10-14H2,1H3,(H,25,27)
InChIKeyJVCXOTRJRSVPHO-UHFFFAOYSA-N
MW376.42 g/mol
LogP5.50
Rot. Bonds3

About N-(2-methylphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide

N-(2-methylphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide (PubChem CID 46087035) has the molecular formula C21H23F3N2O and a molecular weight of 376.42 g/mol. Its IUPAC name is N-(2-methylphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide
PubChem CID46087035
Molecular FormulaC21H23F3N2O
Molecular Weight376.42 g/mol
Exact Mass376.18
IUPAC NameN-(2-methylphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CCC(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C21H23F3N2O/c1-15-4-2-3-5-19(15)25-20(27)26-12-10-17(11-13-26)14-16-6-8-18(9-7-16)21(22,23)24/h2-9,17H,10-14H2,1H3,(H,25,27)
InChIKeyJVCXOTRJRSVPHO-UHFFFAOYSA-N
XLogP5.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.42
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide?
The IUPAC name of N-(2-methylphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide (CID 46087035) is N-(2-methylphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide is Cc1ccccc1NC(=O)N1CCC(Cc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-(2-methylphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide?
The InChIKey is JVCXOTRJRSVPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O/c1-15-4-2-3-5-19(15)25-20(27)26-12-10-17(11-13-26)14-16-6-8-18(9-7-16)21(22,23)24/h2-9,17H,10-14H2,1H3,(H,25,27).
What are the key properties of N-(2-methylphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide?
N-(2-methylphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 5.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 46087035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).