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

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

N-Acetylprocainamide
CID 4342
Balicatib
CID 10201696
4,4'-Bis(diethylamino)benzophenone
CID 66663
4-(N-methyl-2-phenylethylamino)-1-(3,5-dimethyl-4-propionylaminobenzoyl)piperidine
CID 219020
4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)benzamide
CID 3994
4-amino-N-benzylbenzamide
CID 577832
SK-7041
CID 6918714
1-[3-Fluoro-4-(piperidin-1-yl)phenyl]ethan-1-one
CID 775592
LY 188544
CID 126157
1-Benzoyl-4-phenylpiperazine
CID 258240
4-Tert-butyl-N-(2-fluorophenyl)benzamide
CID 773723
N-[4-(4-Phenyl-piperazin-1-yl)-butyl]-benzamide
CID 14162480

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).