4-benzyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide

C20H21F3N2O — CID 3857364

IUPAC4-benzyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H21F3N2O/c21-20(22,23)17-8-4-5-9-18(17)24-19(26)25-12-10-16(11-13-25)14-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,24,26)
InChIKeyPJHMUMFTOAUHFP-UHFFFAOYSA-N
MW362.39 g/mol
LogP5.19
Rot. Bonds3

About 4-benzyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide

4-benzyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 3857364) has the molecular formula C20H21F3N2O and a molecular weight of 362.39 g/mol. Its IUPAC name is 4-benzyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID3857364
Molecular FormulaC20H21F3N2O
Molecular Weight362.39 g/mol
Exact Mass362.16
IUPAC Name4-benzyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H21F3N2O/c21-20(22,23)17-8-4-5-9-18(17)24-19(26)25-12-10-16(11-13-25)14-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,24,26)
InChIKeyPJHMUMFTOAUHFP-UHFFFAOYSA-N
XLogP5.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.39
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-benzyl-N-(2-tert-butylphenyl)piperidine-1-carboxamide
CID 3455496
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
(3R)-3-hydroxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 78931972
(3R)-3-phenyl-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 51895142
4-[(2-phenylimidazol-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 90494539
4-(triazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 121165130
3-(cyclopropylmethoxy)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 121197684
3-amino-N-[2-(trifluoromethyl)phenyl]azetidine-1-carboxamide
CID 63767129
3-hydroxy-4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 103896300
4-thiomorpholin-4-yl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 72886540
4-benzyl-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 108867010
N-[2-[2-(4-benzylpiperidin-1-yl)ethyl]phenyl]-4-phenylpiperidine-1-carboxamide
CID 70113194

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-benzyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 3857364) is 4-benzyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide is O=C(Nc1ccccc1C(F)(F)F)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is PJHMUMFTOAUHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O/c21-20(22,23)17-8-4-5-9-18(17)24-19(26)25-12-10-16(11-13-25)14-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,24,26).
What are the key properties of 4-benzyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
4-benzyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 3857364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).