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

C20H21F3N2O — CID 18089156

IUPACN-phenyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(Cc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C20H21F3N2O/c21-20(22,23)18-9-5-4-6-16(18)14-25-12-10-15(11-13-25)19(26)24-17-7-2-1-3-8-17/h1-9,15H,10-14H2,(H,24,26)
InChIKeyPPJGDNAMROPFMT-UHFFFAOYSA-N
MW362.39 g/mol
LogP4.56
Rot. Bonds4

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

N-phenyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 18089156) has the molecular formula C20H21F3N2O and a molecular weight of 362.39 g/mol. Its IUPAC name is N-phenyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-phenyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID18089156
Molecular FormulaC20H21F3N2O
Molecular Weight362.39 g/mol
Exact Mass362.16
IUPAC NameN-phenyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(Cc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C20H21F3N2O/c21-20(22,23)18-9-5-4-6-16(18)14-25-12-10-15(11-13-25)19(26)24-17-7-2-1-3-8-17/h1-9,15H,10-14H2,(H,24,26)
InChIKeyPPJGDNAMROPFMT-UHFFFAOYSA-N
XLogP4.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 42542209
N-(2-methoxyphenyl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 37179444
pyrrolidin-1-yl-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanone
CID 134058330
1-(naphthalen-1-ylmethyl)-N-phenylpiperidine-4-carboxamide
CID 18089122
1-[(4-chloro-2-fluorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 99826811
1-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
CID 22247923
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45017760
1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 18002013
1-(2-amino-2-oxoethyl)-N-phenylpiperidine-4-carboxamide
CID 9134210
N-methyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]cyclobutanecarboxamide
CID 171336017
N-(4-cyclopentyloxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 46775304
N-(4-iodophenyl)-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 43920099

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-phenyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (CID 18089156) is N-phenyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-phenyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-phenyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is O=C(Nc1ccccc1)C1CCN(Cc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of N-phenyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is PPJGDNAMROPFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O/c21-20(22,23)18-9-5-4-6-16(18)14-25-12-10-15(11-13-25)19(26)24-17-7-2-1-3-8-17/h1-9,15H,10-14H2,(H,24,26).
What are the key properties of N-phenyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
N-phenyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 18089156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).