N-benzyl-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride

C22H26ClF3N2O — CID 131709262

IUPACN-benzyl-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
SMILESCN(Cc1ccccc1)C(=O)C1CCCN(Cc2ccc(C(F)(F)F)cc2)C1.Cl
InChIInChI=1S/C22H25F3N2O.ClH/c1-26(14-17-6-3-2-4-7-17)21(28)19-8-5-13-27(16-19)15-18-9-11-20(12-10-18)22(23,24)25;/h2-4,6-7,9-12,19H,5,8,13-16H2,1H3;1H
InChIKeyGBBPVLQIMJCBJF-UHFFFAOYSA-N
MW426.91 g/mol
LogP5.00
Rot. Bonds5

About N-benzyl-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride

N-benzyl-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 131709262) has the molecular formula C22H26ClF3N2O and a molecular weight of 426.91 g/mol. Its IUPAC name is N-benzyl-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-benzyl-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
PubChem CID131709262
Molecular FormulaC22H26ClF3N2O
Molecular Weight426.91 g/mol
Exact Mass426.17
IUPAC NameN-benzyl-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
SMILESCN(Cc1ccccc1)C(=O)C1CCCN(Cc2ccc(C(F)(F)F)cc2)C1.Cl
InChIInChI=1S/C22H25F3N2O.ClH/c1-26(14-17-6-3-2-4-7-17)21(28)19-8-5-13-27(16-19)15-18-9-11-20(12-10-18)22(23,24)25;/h2-4,6-7,9-12,19H,5,8,13-16H2,1H3;1H
InChIKeyGBBPVLQIMJCBJF-UHFFFAOYSA-N
XLogP5.00
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.91
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1-[(4-ethylphenyl)methyl]-N-methylpiperidine-3-carboxamide;oxalic acid
CID 90483616
(3S)-1-[(4-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 38105345
(3S)-1-[(4-chlorophenyl)methyl]-N-[(2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 100777593
N-benzyl-1-[[4-[[3-[benzyl(ethyl)carbamoyl]piperidin-1-yl]methyl]phenyl]methyl]-N-ethylpiperidine-3-carboxamide;hydrobromide
CID 67856003
ethyl 1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylate
CID 2838402
1-acetyl-N-benzyl-N-methylpiperidine-3-carboxamide
CID 110686080
N-propyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 49441141
N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 1076471
N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]cyclobutanecarboxamide
CID 171336018
N-[(4-methoxyphenyl)methyl]-N-methyl-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43926170
1-[(4-tert-butylphenyl)methyl]piperidine-3-carboxylic acid
CID 3997008
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 24904811

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-benzyl-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride (CID 131709262) is N-benzyl-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-benzyl-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-benzyl-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride is CN(Cc1ccccc1)C(=O)C1CCCN(Cc2ccc(C(F)(F)F)cc2)C1.Cl.
What is the InChIKey of N-benzyl-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is GBBPVLQIMJCBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O.ClH/c1-26(14-17-6-3-2-4-7-17)21(28)19-8-5-13-27(16-19)15-18-9-11-20(12-10-18)22(23,24)25;/h2-4,6-7,9-12,19H,5,8,13-16H2,1H3;1H.
What are the key properties of N-benzyl-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride?
N-benzyl-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 426.91 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 131709262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).