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

C20H21F3N2O — CID 11245391

IUPAC4-(2-methylphenyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESCc1ccccc1C1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C20H21F3N2O/c1-14-4-2-3-5-18(14)15-10-12-25(13-11-15)19(26)24-17-8-6-16(7-9-17)20(21,22)23/h2-9,15H,10-13H2,1H3,(H,24,26)
InChIKeyJRQGZKOEKPZRAE-UHFFFAOYSA-N
MW362.40 g/mol
LogP5.43
Rot. Bonds2

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

4-(2-methylphenyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 11245391) has the molecular formula C20H21F3N2O and a molecular weight of 362.40 g/mol. Its IUPAC name is 4-(2-methylphenyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methylphenyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID11245391
Molecular FormulaC20H21F3N2O
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC Name4-(2-methylphenyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESCc1ccccc1C1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C20H21F3N2O/c1-14-4-2-3-5-18(14)15-10-12-25(13-11-15)19(26)24-17-8-6-16(7-9-17)20(21,22)23/h2-9,15H,10-13H2,1H3,(H,24,26)
InChIKeyJRQGZKOEKPZRAE-UHFFFAOYSA-N
XLogP5.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.40
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-(2-methylphenyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 11245391) is 4-(2-methylphenyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-methylphenyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(2-methylphenyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide is Cc1ccccc1C1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 4-(2-methylphenyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is JRQGZKOEKPZRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O/c1-14-4-2-3-5-18(14)15-10-12-25(13-11-15)19(26)24-17-8-6-16(7-9-17)20(21,22)23/h2-9,15H,10-13H2,1H3,(H,24,26).
What are the key properties of 4-(2-methylphenyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
4-(2-methylphenyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 362.40 g/mol, XLogP of 5.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 11245391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).