N-[1-[2-(2-fluorophenyl)ethyl]-2-methoxypiperidin-4-yl]-N-phenylacetamide

C22H27FN2O2 — CID 68570082

IUPACN-[1-[2-(2-fluorophenyl)ethyl]-2-methoxypiperidin-4-yl]-N-phenylacetamide
SMILESCOC1CC(N(C(C)=O)c2ccccc2)CCN1CCc1ccccc1F
InChIInChI=1S/C22H27FN2O2/c1-17(26)25(19-9-4-3-5-10-19)20-13-15-24(22(16-20)27-2)14-12-18-8-6-7-11-21(18)23/h3-11,20,22H,12-16H2,1-2H3
InChIKeyMRKRENXROKQGPP-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.86
Rot. Bonds6

About N-[1-[2-(2-fluorophenyl)ethyl]-2-methoxypiperidin-4-yl]-N-phenylacetamide

N-[1-[2-(2-fluorophenyl)ethyl]-2-methoxypiperidin-4-yl]-N-phenylacetamide (PubChem CID 68570082) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[1-[2-(2-fluorophenyl)ethyl]-2-methoxypiperidin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[1-[2-(2-fluorophenyl)ethyl]-2-methoxypiperidin-4-yl]-N-phenylacetamide
PubChem CID68570082
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC NameN-[1-[2-(2-fluorophenyl)ethyl]-2-methoxypiperidin-4-yl]-N-phenylacetamide
SMILESCOC1CC(N(C(C)=O)c2ccccc2)CCN1CCc1ccccc1F
InChIInChI=1S/C22H27FN2O2/c1-17(26)25(19-9-4-3-5-10-19)20-13-15-24(22(16-20)27-2)14-12-18-8-6-7-11-21(18)23/h3-11,20,22H,12-16H2,1-2H3
InChIKeyMRKRENXROKQGPP-UHFFFAOYSA-N
XLogP3.86
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]-N-phenylacetamide
CID 22294993
N-(1-methylpiperidin-4-yl)-N-phenylacetamide
CID 527022
N-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 165365115
N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-phenylacetamide
CID 91635293
N-phenyl-N-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 46055000
N-[2-(2-fluorophenyl)ethyl]-2-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)acetamide
CID 23512954
N-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 46047958
N-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-4-methoxybenzamide
CID 46047973
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
CID 46047940
2-fluoro-N-(4-fluorophenyl)-N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 46055071
methyl 4-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylcarbamoyl]benzoate
CID 25446804
N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-piperidin-1-ylacetamide
CID 25461385

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-fluorophenyl)ethyl]-2-methoxypiperidin-4-yl]-N-phenylacetamide?
The IUPAC name of N-[1-[2-(2-fluorophenyl)ethyl]-2-methoxypiperidin-4-yl]-N-phenylacetamide (CID 68570082) is N-[1-[2-(2-fluorophenyl)ethyl]-2-methoxypiperidin-4-yl]-N-phenylacetamide.
What is the SMILES notation for N-[1-[2-(2-fluorophenyl)ethyl]-2-methoxypiperidin-4-yl]-N-phenylacetamide?
The canonical SMILES for N-[1-[2-(2-fluorophenyl)ethyl]-2-methoxypiperidin-4-yl]-N-phenylacetamide is COC1CC(N(C(C)=O)c2ccccc2)CCN1CCc1ccccc1F.
What is the InChIKey of N-[1-[2-(2-fluorophenyl)ethyl]-2-methoxypiperidin-4-yl]-N-phenylacetamide?
The InChIKey is MRKRENXROKQGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-17(26)25(19-9-4-3-5-10-19)20-13-15-24(22(16-20)27-2)14-12-18-8-6-7-11-21(18)23/h3-11,20,22H,12-16H2,1-2H3.
What are the key properties of N-[1-[2-(2-fluorophenyl)ethyl]-2-methoxypiperidin-4-yl]-N-phenylacetamide?
N-[1-[2-(2-fluorophenyl)ethyl]-2-methoxypiperidin-4-yl]-N-phenylacetamide has a molecular weight of 370.47 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-fluorophenyl)ethyl]-2-methoxypiperidin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 68570082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).