3-(dimethylamino)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide

C21H26FN3O — CID 55960952

IUPAC3-(dimethylamino)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
SMILESCN(C)c1cccc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C21H26FN3O/c1-24(2)20-5-3-4-17(14-20)21(26)23-19-10-12-25(13-11-19)15-16-6-8-18(22)9-7-16/h3-9,14,19H,10-13,15H2,1-2H3,(H,23,26)
InChIKeyGIOCXHKKXJVYFN-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.29
Rot. Bonds5

About 3-(dimethylamino)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide

3-(dimethylamino)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide (PubChem CID 55960952) has the molecular formula C21H26FN3O and a molecular weight of 355.46 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
PubChem CID55960952
Molecular FormulaC21H26FN3O
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC Name3-(dimethylamino)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
SMILESCN(C)c1cccc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C21H26FN3O/c1-24(2)20-5-3-4-17(14-20)21(26)23-19-10-12-25(13-11-19)15-16-6-8-18(22)9-7-16/h3-9,14,19H,10-13,15H2,1-2H3,(H,23,26)
InChIKeyGIOCXHKKXJVYFN-UHFFFAOYSA-N
XLogP3.29
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylsulfamoyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 55960567
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzamide
CID 10134420
3-(dimethylamino)-N-(1-methylpyrrolidin-3-yl)benzamide
CID 47375158
4-ethoxy-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 55959674
3-(dimethylamino)-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 110819666
3-(dimethylamino)-N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]benzamide
CID 110822294
4-(dimethylamino)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55957357
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 8589988
3-(dimethylamino)-N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
CID 99741585
3-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide;dihydrochloride
CID 119857402
3-chloro-N-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-fluorobenzamide
CID 24964486

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide (CID 55960952) is 3-(dimethylamino)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide is CN(C)c1cccc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1.
What is the InChIKey of 3-(dimethylamino)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide?
The InChIKey is GIOCXHKKXJVYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O/c1-24(2)20-5-3-4-17(14-20)21(26)23-19-10-12-25(13-11-19)15-16-6-8-18(22)9-7-16/h3-9,14,19H,10-13,15H2,1-2H3,(H,23,26).
What are the key properties of 3-(dimethylamino)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide?
3-(dimethylamino)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide has a molecular weight of 355.46 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 55960952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).