2-[4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N,N-dimethylacetamide

C21H26FN3O — CID 95809871

IUPAC2-[4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCC(c2cccc(Cc3cccc(F)c3)n2)CC1
InChIInChI=1S/C21H26FN3O/c1-24(2)21(26)15-25-11-9-17(10-12-25)20-8-4-7-19(23-20)14-16-5-3-6-18(22)13-16/h3-8,13,17H,9-12,14-15H2,1-2H3
InChIKeyLSEOCFRZYXOAEJ-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.08
Rot. Bonds5

About 2-[4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N,N-dimethylacetamide

2-[4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N,N-dimethylacetamide (PubChem CID 95809871) has the molecular formula C21H26FN3O and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-[4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N,N-dimethylacetamide
PubChem CID95809871
Molecular FormulaC21H26FN3O
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC Name2-[4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCC(c2cccc(Cc3cccc(F)c3)n2)CC1
InChIInChI=1S/C21H26FN3O/c1-24(2)21(26)15-25-11-9-17(10-12-25)20-8-4-7-19(23-20)14-16-5-3-6-18(22)13-16/h3-8,13,17H,9-12,14-15H2,1-2H3
InChIKeyLSEOCFRZYXOAEJ-UHFFFAOYSA-N
XLogP3.08
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-[4-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]acetamide
CID 95809880
2-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-N,N-diethylacetamide
CID 95809099
2-(dimethylamino)-1-[(3S)-3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 95810466
2-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone
CID 110249321
(3R)-3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95809657
[4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95810149
2-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide
CID 110249660
2-(4-fluorophenyl)-1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 110249685
1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 95817811
(2R)-2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 95818112
1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 110249457
2-[(3-fluorophenyl)methyl]-6-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 110249363

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N,N-dimethylacetamide (CID 95809871) is 2-[4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCC(c2cccc(Cc3cccc(F)c3)n2)CC1.
What is the InChIKey of 2-[4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N,N-dimethylacetamide?
The InChIKey is LSEOCFRZYXOAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O/c1-24(2)21(26)15-25-11-9-17(10-12-25)20-8-4-7-19(23-20)14-16-5-3-6-18(22)13-16/h3-8,13,17H,9-12,14-15H2,1-2H3.
What are the key properties of 2-[4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N,N-dimethylacetamide?
2-[4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 355.46 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 95809871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).