4-benzyl-1-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidine-4-carboxamide

C21H24F3N3O — CID 143992872

IUPAC4-benzyl-1-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidine-4-carboxamide
SMILESCN1CCC(Cc2ccccc2)(C(=O)NCc2ccc(C(F)(F)F)nc2)CC1
InChIInChI=1S/C21H24F3N3O/c1-27-11-9-20(10-12-27,13-16-5-3-2-4-6-16)19(28)26-15-17-7-8-18(25-14-17)21(22,23)24/h2-8,14H,9-13,15H2,1H3,(H,26,28)
InChIKeyGGIHCUUPVVERAP-UHFFFAOYSA-N
MW391.44 g/mol
LogP3.67
Rot. Bonds5

About 4-benzyl-1-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidine-4-carboxamide

4-benzyl-1-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidine-4-carboxamide (PubChem CID 143992872) has the molecular formula C21H24F3N3O and a molecular weight of 391.44 g/mol. Its IUPAC name is 4-benzyl-1-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-benzyl-1-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidine-4-carboxamide
PubChem CID143992872
Molecular FormulaC21H24F3N3O
Molecular Weight391.44 g/mol
Exact Mass391.19
IUPAC Name4-benzyl-1-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidine-4-carboxamide
SMILESCN1CCC(Cc2ccccc2)(C(=O)NCc2ccc(C(F)(F)F)nc2)CC1
InChIInChI=1S/C21H24F3N3O/c1-27-11-9-20(10-12-27,13-16-5-3-2-4-6-16)19(28)26-15-17-7-8-18(25-14-17)21(22,23)24/h2-8,14H,9-13,15H2,1H3,(H,26,28)
InChIKeyGGIHCUUPVVERAP-UHFFFAOYSA-N
XLogP3.67
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-fluorophenyl)methyl]-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 142821645
1-[[[6-(trifluoromethyl)-3-pyridinyl]methylamino]methyl]cyclobutane-1-carboxylic acid
CID 166288554
benzyl 4-benzyl-4-(benzylcarbamoyl)piperidine-1-carboxylate
CID 23600667
3-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176501294
N-(cyclopropylmethyl)-4-[(3-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 110111262
N-(2-amino-2-methylpropyl)-1-benzylcyclopropane-1-carboxamide
CID 119629469
5-[[(4-methylpiperazin-1-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 83017675
N-(4-benzyl-1-methylpiperidin-4-yl)acetamide;ethane
CID 142327017
1-benzyl-3-(4-methylpiperazin-1-yl)urea
CID 107653207
2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 51695709
tert-butyl 4-fluoro-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidine-1-carboxylate
CID 163385767
4-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperazine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155944947

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 4-benzyl-1-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidine-4-carboxamide (CID 143992872) is 4-benzyl-1-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-benzyl-1-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 4-benzyl-1-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidine-4-carboxamide is CN1CCC(Cc2ccccc2)(C(=O)NCc2ccc(C(F)(F)F)nc2)CC1.
What is the InChIKey of 4-benzyl-1-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidine-4-carboxamide?
The InChIKey is GGIHCUUPVVERAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O/c1-27-11-9-20(10-12-27,13-16-5-3-2-4-6-16)19(28)26-15-17-7-8-18(25-14-17)21(22,23)24/h2-8,14H,9-13,15H2,1H3,(H,26,28).
What are the key properties of 4-benzyl-1-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidine-4-carboxamide?
4-benzyl-1-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidine-4-carboxamide has a molecular weight of 391.44 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 143992872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).