N-(1-benzylpiperidin-3-yl)-4-fluoro-2-(trifluoromethyl)benzamide

C20H20F4N2O — CID 141457665

IUPACN-(1-benzylpiperidin-3-yl)-4-fluoro-2-(trifluoromethyl)benzamide
SMILESO=C(NC1CCCN(Cc2ccccc2)C1)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C20H20F4N2O/c21-15-8-9-17(18(11-15)20(22,23)24)19(27)25-16-7-4-10-26(13-16)12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,16H,4,7,10,12-13H2,(H,25,27)
InChIKeyGVTKNKCXLDTQQO-UHFFFAOYSA-N
MW380.39 g/mol
LogP4.24
Rot. Bonds4

About N-(1-benzylpiperidin-3-yl)-4-fluoro-2-(trifluoromethyl)benzamide

N-(1-benzylpiperidin-3-yl)-4-fluoro-2-(trifluoromethyl)benzamide (PubChem CID 141457665) has the molecular formula C20H20F4N2O and a molecular weight of 380.39 g/mol. Its IUPAC name is N-(1-benzylpiperidin-3-yl)-4-fluoro-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-3-yl)-4-fluoro-2-(trifluoromethyl)benzamide
PubChem CID141457665
Molecular FormulaC20H20F4N2O
Molecular Weight380.39 g/mol
Exact Mass380.15
IUPAC NameN-(1-benzylpiperidin-3-yl)-4-fluoro-2-(trifluoromethyl)benzamide
SMILESO=C(NC1CCCN(Cc2ccccc2)C1)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C20H20F4N2O/c21-15-8-9-17(18(11-15)20(22,23)24)19(27)25-16-7-4-10-26(13-16)12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,16H,4,7,10,12-13H2,(H,25,27)
InChIKeyGVTKNKCXLDTQQO-UHFFFAOYSA-N
XLogP4.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 42958717
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CID 18156414
N-(1-benzylpiperidin-3-yl)-2-methylbenzamide
CID 42958722
N-(1-benzylpiperidin-3-yl)-2-hydroxy-5-methylbenzamide
CID 75874280
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
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CID 55653777
N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-fluorobenzamide
CID 18156432
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
3-amino-N-(1-benzylpiperidin-3-yl)-5-fluoro-4-methylbenzamide
CID 113239291
N-(1-benzylpiperidin-3-yl)-2-methylquinoline-3-carboxamide
CID 86981138
2-amino-N-(1-benzylpiperidin-3-yl)-6-chlorobenzamide
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CID 39959483

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-3-yl)-4-fluoro-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(1-benzylpiperidin-3-yl)-4-fluoro-2-(trifluoromethyl)benzamide (CID 141457665) is N-(1-benzylpiperidin-3-yl)-4-fluoro-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1-benzylpiperidin-3-yl)-4-fluoro-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(1-benzylpiperidin-3-yl)-4-fluoro-2-(trifluoromethyl)benzamide is O=C(NC1CCCN(Cc2ccccc2)C1)c1ccc(F)cc1C(F)(F)F.
What is the InChIKey of N-(1-benzylpiperidin-3-yl)-4-fluoro-2-(trifluoromethyl)benzamide?
The InChIKey is GVTKNKCXLDTQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4N2O/c21-15-8-9-17(18(11-15)20(22,23)24)19(27)25-16-7-4-10-26(13-16)12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,16H,4,7,10,12-13H2,(H,25,27).
What are the key properties of N-(1-benzylpiperidin-3-yl)-4-fluoro-2-(trifluoromethyl)benzamide?
N-(1-benzylpiperidin-3-yl)-4-fluoro-2-(trifluoromethyl)benzamide has a molecular weight of 380.39 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-3-yl)-4-fluoro-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 141457665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).