N-[2-(3-fluorophenyl)-2-methylpropyl]-4-piperidin-1-ylbenzamide

C22H27FN2O — CID 46951950

IUPACN-[2-(3-fluorophenyl)-2-methylpropyl]-4-piperidin-1-ylbenzamide
SMILESCC(C)(CNC(=O)c1ccc(N2CCCCC2)cc1)c1cccc(F)c1
InChIInChI=1S/C22H27FN2O/c1-22(2,18-7-6-8-19(23)15-18)16-24-21(26)17-9-11-20(12-10-17)25-13-4-3-5-14-25/h6-12,15H,3-5,13-14,16H2,1-2H3,(H,24,26)
InChIKeyLLYCSTBPJFRZIV-UHFFFAOYSA-N
MW354.47 g/mol
LogP4.52
Rot. Bonds5

About N-[2-(3-fluorophenyl)-2-methylpropyl]-4-piperidin-1-ylbenzamide

N-[2-(3-fluorophenyl)-2-methylpropyl]-4-piperidin-1-ylbenzamide (PubChem CID 46951950) has the molecular formula C22H27FN2O and a molecular weight of 354.47 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-2-methylpropyl]-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-2-methylpropyl]-4-piperidin-1-ylbenzamide
PubChem CID46951950
Molecular FormulaC22H27FN2O
Molecular Weight354.47 g/mol
Exact Mass354.21
IUPAC NameN-[2-(3-fluorophenyl)-2-methylpropyl]-4-piperidin-1-ylbenzamide
SMILESCC(C)(CNC(=O)c1ccc(N2CCCCC2)cc1)c1cccc(F)c1
InChIInChI=1S/C22H27FN2O/c1-22(2,18-7-6-8-19(23)15-18)16-24-21(26)17-9-11-20(12-10-17)25-13-4-3-5-14-25/h6-12,15H,3-5,13-14,16H2,1-2H3,(H,24,26)
InChIKeyLLYCSTBPJFRZIV-UHFFFAOYSA-N
XLogP4.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[4-(azepan-1-yl)benzoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 167938791
N-(3-fluorophenyl)-4-pyrrolidin-1-ylbenzamide
CID 110295195
N-[2-(3-fluorophenyl)-2-methylpropyl]carbamoyl bromide
CID 115194299
[2-(3-fluorophenyl)-2-methylpropyl]urea
CID 115168840
N-[2-(3-fluorophenyl)-2-methylpropyl]azetidine-3-carboxamide
CID 115159147
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-hydroxy-2-methylpropanamide
CID 115179051
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-(methylamino)acetamide
CID 115152192
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide
CID 138034558
N-ethyl-4-[[[ethylamino-[[2-(3-fluorophenyl)-2-methylpropyl]amino]methylidene]amino]methyl]benzamide;hydroiodide
CID 111625559
N-(4,4-dimethylpentyl)-4-pyrrolidin-1-ylbenzamide
CID 110617789
3-fluoro-N-(2-hydroxy-2-phenylpropyl)-4-pyrrolidin-1-ylbenzamide
CID 111334766
4-(aminomethyl)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide
CID 119316502

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-2-methylpropyl]-4-piperidin-1-ylbenzamide?
The IUPAC name of N-[2-(3-fluorophenyl)-2-methylpropyl]-4-piperidin-1-ylbenzamide (CID 46951950) is N-[2-(3-fluorophenyl)-2-methylpropyl]-4-piperidin-1-ylbenzamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)-2-methylpropyl]-4-piperidin-1-ylbenzamide?
The canonical SMILES for N-[2-(3-fluorophenyl)-2-methylpropyl]-4-piperidin-1-ylbenzamide is CC(C)(CNC(=O)c1ccc(N2CCCCC2)cc1)c1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)-2-methylpropyl]-4-piperidin-1-ylbenzamide?
The InChIKey is LLYCSTBPJFRZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O/c1-22(2,18-7-6-8-19(23)15-18)16-24-21(26)17-9-11-20(12-10-17)25-13-4-3-5-14-25/h6-12,15H,3-5,13-14,16H2,1-2H3,(H,24,26).
What are the key properties of N-[2-(3-fluorophenyl)-2-methylpropyl]-4-piperidin-1-ylbenzamide?
N-[2-(3-fluorophenyl)-2-methylpropyl]-4-piperidin-1-ylbenzamide has a molecular weight of 354.47 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-2-methylpropyl]-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 46951950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).