N-[2-chloro-5-(trifluoromethyl)phenyl]-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide

C21H22ClF3N2O — CID 43924033

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1cccc(CN2CCCC(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)C2)c1
InChIInChI=1S/C21H22ClF3N2O/c1-14-4-2-5-15(10-14)12-27-9-3-6-16(13-27)20(28)26-19-11-17(21(23,24)25)7-8-18(19)22/h2,4-5,7-8,10-11,16H,3,6,9,12-13H2,1H3,(H,26,28)
InChIKeyWMLSBDXFHZUXDO-UHFFFAOYSA-N
MW410.87 g/mol
LogP5.52
Rot. Bonds4

About N-[2-chloro-5-(trifluoromethyl)phenyl]-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 43924033) has the molecular formula C21H22ClF3N2O and a molecular weight of 410.87 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
PubChem CID43924033
Molecular FormulaC21H22ClF3N2O
Molecular Weight410.87 g/mol
Exact Mass410.14
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1cccc(CN2CCCC(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)C2)c1
InChIInChI=1S/C21H22ClF3N2O/c1-14-4-2-5-15(10-14)12-27-9-3-6-16(13-27)20(28)26-19-11-17(21(23,24)25)7-8-18(19)22/h2,4-5,7-8,10-11,16H,3,6,9,12-13H2,1H3,(H,26,28)
InChIKeyWMLSBDXFHZUXDO-UHFFFAOYSA-N
XLogP5.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.87
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43924034
N-(2-fluorophenyl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 43921367
N-(3,5-dimethylphenyl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 43919218
(3R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447130
1-benzyl-N-(2-chlorophenyl)piperidine-3-carboxamide
CID 43919369
1-[(3-bromophenyl)methyl]-N-(2-chlorophenyl)piperidine-3-carboxamide
CID 43919379
1-benzyl-N-(2,5-dimethylphenyl)piperidine-3-carboxamide
CID 43919133
1-[(3-bromophenyl)methyl]-N-(3-chloro-2-methylphenyl)piperidine-3-carboxamide
CID 43921642
N-cyclohexyl-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 43918586
N-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43921645
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 24904811
1-[(2-chlorophenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 43919998

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide (CID 43924033) is N-[2-chloro-5-(trifluoromethyl)phenyl]-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide is Cc1cccc(CN2CCCC(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)C2)c1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is WMLSBDXFHZUXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClF3N2O/c1-14-4-2-5-15(10-14)12-27-9-3-6-16(13-27)20(28)26-19-11-17(21(23,24)25)7-8-18(19)22/h2,4-5,7-8,10-11,16H,3,6,9,12-13H2,1H3,(H,26,28).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 410.87 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43924033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).