1-[(2-chlorophenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide

C20H20ClF3N2O — CID 43919998

IUPAC1-[(2-chlorophenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C1CCCN(Cc2ccccc2Cl)C1
InChIInChI=1S/C20H20ClF3N2O/c21-18-9-2-1-5-14(18)12-26-10-4-6-15(13-26)19(27)25-17-8-3-7-16(11-17)20(22,23)24/h1-3,5,7-9,11,15H,4,6,10,12-13H2,(H,25,27)
InChIKeyWLQUECISZADRKY-UHFFFAOYSA-N
MW396.84 g/mol
LogP5.21
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide

1-[(2-chlorophenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide (PubChem CID 43919998) has the molecular formula C20H20ClF3N2O and a molecular weight of 396.84 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
PubChem CID43919998
Molecular FormulaC20H20ClF3N2O
Molecular Weight396.84 g/mol
Exact Mass396.12
IUPAC Name1-[(2-chlorophenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C1CCCN(Cc2ccccc2Cl)C1
InChIInChI=1S/C20H20ClF3N2O/c21-18-9-2-1-5-14(18)12-26-10-4-6-15(13-26)19(27)25-17-8-3-7-16(11-17)20(22,23)24/h1-3,5,7-9,11,15H,4,6,10,12-13H2,(H,25,27)
InChIKeyWLQUECISZADRKY-UHFFFAOYSA-N
XLogP5.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.84
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chlorophenyl)methyl]-N-(3,4-dichlorophenyl)piperidine-3-carboxamide
CID 43925064
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43922172
1-[(2-chlorophenyl)methyl]-N-(3-prop-2-enoxyphenyl)piperidine-3-carboxamide
CID 43925362
1-[(2,6-dichlorophenyl)methyl]-N-phenylpiperidine-3-carboxamide
CID 43918962
1-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide
CID 43923163
N-(4-bromo-3-methylphenyl)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43922053
(3S)-1-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide
CID 93491855
1-methyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 110860841
1-[(2-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 43919687
(3R)-1-[(2-chlorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 93490606
(3R)-1-[(2-chlorophenyl)methyl]-N-(2,5-dichlorophenyl)piperidine-3-carboxamide
CID 93490992
1-benzyl-N-[3-(phenylcarbamoylamino)phenyl]piperidine-3-carboxamide
CID 47074842

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide (CID 43919998) is 1-[(2-chlorophenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)C1CCCN(Cc2ccccc2Cl)C1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The InChIKey is WLQUECISZADRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClF3N2O/c21-18-9-2-1-5-14(18)12-26-10-4-6-15(13-26)19(27)25-17-8-3-7-16(11-17)20(22,23)24/h1-3,5,7-9,11,15H,4,6,10,12-13H2,(H,25,27).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
1-[(2-chlorophenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide has a molecular weight of 396.84 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 43919998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).