1-benzyl-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide

C20H21F3N2O2 — CID 60563034

IUPAC1-benzyl-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C20H21F3N2O2/c21-20(22,23)27-18-10-4-9-17(12-18)24-19(26)16-8-5-11-25(14-16)13-15-6-2-1-3-7-15/h1-4,6-7,9-10,12,16H,5,8,11,13-14H2,(H,24,26)
InChIKeyFOETUZVMEJFPNB-UHFFFAOYSA-N
MW378.39 g/mol
LogP4.44
Rot. Bonds5

About 1-benzyl-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide

1-benzyl-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide (PubChem CID 60563034) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is 1-benzyl-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
PubChem CID60563034
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC Name1-benzyl-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C20H21F3N2O2/c21-20(22,23)27-18-10-4-9-17(12-18)24-19(26)16-8-5-11-25(14-16)13-15-6-2-1-3-7-15/h1-4,6-7,9-10,12,16H,5,8,11,13-14H2,(H,24,26)
InChIKeyFOETUZVMEJFPNB-UHFFFAOYSA-N
XLogP4.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-N-[3-(phenylcarbamoylamino)phenyl]piperidine-3-carboxamide
CID 47074842
(3S)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490524
(3R)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490525
1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide
CID 43919796
(3S)-1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide
CID 93490714
N-[4-(1,3-thiazol-4-yl)phenyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 162655576
N-[3-(trifluoromethoxy)phenyl]cyclohexanecarboxamide
CID 52560778
1-benzyl-N-(3,4-dichlorophenyl)piperidine-3-carboxamide
CID 43925060
1-benzyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide;dihydrochloride
CID 119438547
(3S)-1-benzyl-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 93490442
(3S)-1-(2-methylpropanoyl)-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
CID 51937786
1-benzyl-N-[3-(cyclopropylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 60562957

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide (CID 60563034) is 1-benzyl-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide is O=C(Nc1cccc(OC(F)(F)F)c1)C1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide?
The InChIKey is FOETUZVMEJFPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c21-20(22,23)27-18-10-4-9-17(12-18)24-19(26)16-8-5-11-25(14-16)13-15-6-2-1-3-7-15/h1-4,6-7,9-10,12,16H,5,8,11,13-14H2,(H,24,26).
What are the key properties of 1-benzyl-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide?
1-benzyl-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide has a molecular weight of 378.39 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 60563034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).