2-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide

C22H27FN2O2 — CID 43006555

IUPAC2-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
SMILESCOc1ccc(C(CNC(=O)Cc2cccc(F)c2)N2CCCCC2)cc1
InChIInChI=1S/C22H27FN2O2/c1-27-20-10-8-18(9-11-20)21(25-12-3-2-4-13-25)16-24-22(26)15-17-6-5-7-19(23)14-17/h5-11,14,21H,2-4,12-13,15-16H2,1H3,(H,24,26)
InChIKeyXNFREWSGNGPEBE-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.72
Rot. Bonds7

About 2-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide

2-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide (PubChem CID 43006555) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
PubChem CID43006555
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC Name2-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
SMILESCOc1ccc(C(CNC(=O)Cc2cccc(F)c2)N2CCCCC2)cc1
InChIInChI=1S/C22H27FN2O2/c1-27-20-10-8-18(9-11-20)21(25-12-3-2-4-13-25)16-24-22(26)15-17-6-5-7-19(23)14-17/h5-11,14,21H,2-4,12-13,15-16H2,1H3,(H,24,26)
InChIKeyXNFREWSGNGPEBE-UHFFFAOYSA-N
XLogP3.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 51179557
3-fluoro-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 2521454
3-fluoro-N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 78784235
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide;hydrochloride
CID 52984976
2-(4-chlorophenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 40897308
2-(2-hydroxyphenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 60615784
2,4-difluoro-N-[2-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 134036254
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 47101154
2-(4-fluorophenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 17014584
N-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 112503446
N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 43006599
2-(2,5-dimethoxyphenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 78822011

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide (CID 43006555) is 2-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide is COc1ccc(C(CNC(=O)Cc2cccc(F)c2)N2CCCCC2)cc1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide?
The InChIKey is XNFREWSGNGPEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-27-20-10-8-18(9-11-20)21(25-12-3-2-4-13-25)16-24-22(26)15-17-6-5-7-19(23)14-17/h5-11,14,21H,2-4,12-13,15-16H2,1H3,(H,24,26).
What are the key properties of 2-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide?
2-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide has a molecular weight of 370.47 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide is sourced from PubChem (CID 43006555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).